1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one

C63H50ClF5N16O7 — CID 167130699

IUPAC1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(Nc2nc(-c3c(F)cc(-c4cc(Nc5nc(-c6c(F)cc(-c7cc(CC(O)N8CCOCC8)ccc7Nc7nc(-c8c(F)cccc8F)n8cc[nH]c(=O)c78)cc6F)n6cc[nH]c(=O)c56)cc(C(=O)N5CCOCC5)c4)cc3Cl)n3cc[nH]c(=O)c23)cn1
InChIInChI=1S/C63H50ClF5N16O7/c1-80-31-38(30-73-80)75-55-52-61(88)70-7-10-83(52)57(77-55)48-40(64)26-34(27-43(48)67)33-23-36(63(90)82-15-19-92-20-16-82)25-37(24-33)74-54-51-60(87)71-8-11-84(51)59(78-54)50-44(68)28-35(29-45(50)69)39-21-32(22-47(86)81-13-17-91-18-14-81)5-6-46(39)76-56-53-62(89)72-9-12-85(53)58(79-56)49-41(65)3-2-4-42(49)66/h2-12,21,23-31,47,74-76,86H,13-20,22H2,1H3,(H,70,88)(H,71,87)(H,72,89)
InChIKeyDSTUVJRQERBRRC-UHFFFAOYSA-N
MW1273.64 g/mol
LogP9.01
Rot. Bonds15

About 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one

1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 167130699) has the molecular formula C63H50ClF5N16O7 and a molecular weight of 1273.64 g/mol. Its IUPAC name is 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID167130699
Molecular FormulaC63H50ClF5N16O7
Molecular Weight1273.64 g/mol
Exact Mass1272.37
IUPAC Name1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(Nc2nc(-c3c(F)cc(-c4cc(Nc5nc(-c6c(F)cc(-c7cc(CC(O)N8CCOCC8)ccc7Nc7nc(-c8c(F)cccc8F)n8cc[nH]c(=O)c78)cc6F)n6cc[nH]c(=O)c56)cc(C(=O)N5CCOCC5)c4)cc3Cl)n3cc[nH]c(=O)c23)cn1
InChIInChI=1S/C63H50ClF5N16O7/c1-80-31-38(30-73-80)75-55-52-61(88)70-7-10-83(52)57(77-55)48-40(64)26-34(27-43(48)67)33-23-36(63(90)82-15-19-92-20-16-82)25-37(24-33)74-54-51-60(87)71-8-11-84(51)59(78-54)50-44(68)28-35(29-45(50)69)39-21-32(22-47(86)81-13-17-91-18-14-81)5-6-46(39)76-56-53-62(89)72-9-12-85(53)58(79-56)49-41(65)3-2-4-42(49)66/h2-12,21,23-31,47,74-76,86H,13-20,22H2,1H3,(H,70,88)(H,71,87)(H,72,89)
InChIKeyDSTUVJRQERBRRC-UHFFFAOYSA-N
XLogP9.01
TPSA266.63 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001273.64
LogP ≤ 59.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one (CID 167130699) is 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one is Cn1cc(Nc2nc(-c3c(F)cc(-c4cc(Nc5nc(-c6c(F)cc(-c7cc(CC(O)N8CCOCC8)ccc7Nc7nc(-c8c(F)cccc8F)n8cc[nH]c(=O)c78)cc6F)n6cc[nH]c(=O)c56)cc(C(=O)N5CCOCC5)c4)cc3Cl)n3cc[nH]c(=O)c23)cn1.
What is the InChIKey of 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is DSTUVJRQERBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50ClF5N16O7/c1-80-31-38(30-73-80)75-55-52-61(88)70-7-10-83(52)57(77-55)48-40(64)26-34(27-43(48)67)33-23-36(63(90)82-15-19-92-20-16-82)25-37(24-33)74-54-51-60(87)71-8-11-84(51)59(78-54)50-44(68)28-35(29-45(50)69)39-21-32(22-47(86)81-13-17-91-18-14-81)5-6-46(39)76-56-53-62(89)72-9-12-85(53)58(79-56)49-41(65)3-2-4-42(49)66/h2-12,21,23-31,47,74-76,86H,13-20,22H2,1H3,(H,70,88)(H,71,87)(H,72,89).
What are the key properties of 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one?
1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 1273.64 g/mol, XLogP of 9.01, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 167130699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).