N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

C64H55ClF2N12O6 — CID 123620436

IUPACN-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2CCC2CC2Oc2ccc(CCC3CC3Oc3ccc(Cl)c(-c4cnc(NC(=O)c5cncc(F)c5C)cn4)c3)c(-c3cnc(NC(=O)c4cncc(F)c4C)cn3)c2)cn1
InChIInChI=1S/C64H55ClF2N12O6/c1-34-16-17-68-23-48(34)62(80)77-59-31-71-54(28-74-59)45-20-42(83-41-12-13-41)10-8-37(45)4-6-39-18-57(39)84-43-11-9-38(46(21-43)55-29-75-60(32-72-55)78-63(81)49-24-69-26-52(66)35(49)2)5-7-40-19-58(40)85-44-14-15-51(65)47(22-44)56-30-76-61(33-73-56)79-64(82)50-25-70-27-53(67)36(50)3/h8-11,14-17,20-33,39-41,57-58H,4-7,12-13,18-19H2,1-3H3,(H,74,77,80)(H,75,78,81)(H,76,79,82)
InChIKeyLVOYSAHJVBADET-UHFFFAOYSA-N
MW1161.67 g/mol
LogP12.20
Rot. Bonds21

About N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 123620436) has the molecular formula C64H55ClF2N12O6 and a molecular weight of 1161.67 g/mol. Its IUPAC name is N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID123620436
Molecular FormulaC64H55ClF2N12O6
Molecular Weight1161.67 g/mol
Exact Mass1160.40
IUPAC NameN-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2CCC2CC2Oc2ccc(CCC3CC3Oc3ccc(Cl)c(-c4cnc(NC(=O)c5cncc(F)c5C)cn4)c3)c(-c3cnc(NC(=O)c4cncc(F)c4C)cn3)c2)cn1
InChIInChI=1S/C64H55ClF2N12O6/c1-34-16-17-68-23-48(34)62(80)77-59-31-71-54(28-74-59)45-20-42(83-41-12-13-41)10-8-37(45)4-6-39-18-57(39)84-43-11-9-38(46(21-43)55-29-75-60(32-72-55)78-63(81)49-24-69-26-52(66)35(49)2)5-7-40-19-58(40)85-44-14-15-51(65)47(22-44)56-30-76-61(33-73-56)79-64(82)50-25-70-27-53(67)36(50)3/h8-11,14-17,20-33,39-41,57-58H,4-7,12-13,18-19H2,1-3H3,(H,74,77,80)(H,75,78,81)(H,76,79,82)
InChIKeyLVOYSAHJVBADET-UHFFFAOYSA-N
XLogP12.20
TPSA231.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.67
LogP ≤ 512.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-(2-chloro-5-(pyridin-2-yloxy)phenyl)pyrazin-2-yl)-5-fluoro-4-methylnicotinamide
CID 70978064
N-(5-(2-chloro-5-cyclopropoxyphenyl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 70978077
5-fluoro-N-(5-(5-((3-fluoropyridin-2-yl)oxy)-2-methylphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70978588
N-(5-(5-cyclopropoxy-2-methylphenyl)pyrazin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010035
N-(5-(2-chloro-5-((6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010141
N-(5-(5-((3-fluoropyridin-2-yl)oxy)-2-methylphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010168
N-(5-(2-chloro-5-cyclopropoxyphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70978019
N-(5-(2-chloro-5-isopropoxyphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70979026
N-(5-(2-chloro-5-(pyridin-2-yloxy)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010055
5-bromo-N-(5-(2-chloro-5-cyclopropoxyphenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010144
N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide
CID 70978266
N-[5-[2-chloro-5-(trifluoromethoxy)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 70978473

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 123620436) is N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2CCC2CC2Oc2ccc(CCC3CC3Oc3ccc(Cl)c(-c4cnc(NC(=O)c5cncc(F)c5C)cn4)c3)c(-c3cnc(NC(=O)c4cncc(F)c4C)cn3)c2)cn1.
What is the InChIKey of N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is LVOYSAHJVBADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55ClF2N12O6/c1-34-16-17-68-23-48(34)62(80)77-59-31-71-54(28-74-59)45-20-42(83-41-12-13-41)10-8-37(45)4-6-39-18-57(39)84-43-11-9-38(46(21-43)55-29-75-60(32-72-55)78-63(81)49-24-69-26-52(66)35(49)2)5-7-40-19-58(40)85-44-14-15-51(65)47(22-44)56-30-76-61(33-73-56)79-64(82)50-25-70-27-53(67)36(50)3/h8-11,14-17,20-33,39-41,57-58H,4-7,12-13,18-19H2,1-3H3,(H,74,77,80)(H,75,78,81)(H,76,79,82).
What are the key properties of N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 1161.67 g/mol, XLogP of 12.20, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-[2-[4-chloro-3-[5-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenoxy]cyclopropyl]ethyl]-5-[2-[2-[4-cyclopropyloxy-2-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl]ethyl]cyclopropyl]oxyphenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 123620436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).