6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C44H29F4N11O4S2 — CID 142859321

IUPAC6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3cccc(-c4ccc(F)c(C(=O)c5sc(Nc6ccc(C(=O)NCc7cccnc7)cn6)nc5N)c4F)c3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C44H29F4N11O4S2/c45-27-7-2-8-28(46)32(27)35(60)37-39(49)58-43(64-37)57-31-14-10-24(20-53-31)42(63)55-25-6-1-5-22(16-25)26-11-12-29(47)33(34(26)48)36(61)38-40(50)59-44(65-38)56-30-13-9-23(19-52-30)41(62)54-18-21-4-3-15-51-17-21/h1-17,19-20H,18,49-50H2,(H,54,62)(H,55,63)(H,52,56,59)(H,53,57,58)
InChIKeySDGQTWSXTSCSFZ-UHFFFAOYSA-N
MW915.91 g/mol
LogP8.30
Rot. Bonds14

About 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 142859321) has the molecular formula C44H29F4N11O4S2 and a molecular weight of 915.91 g/mol. Its IUPAC name is 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID142859321
Molecular FormulaC44H29F4N11O4S2
Molecular Weight915.91 g/mol
Exact Mass915.18
IUPAC Name6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3cccc(-c4ccc(F)c(C(=O)c5sc(Nc6ccc(C(=O)NCc7cccnc7)cn6)nc5N)c4F)c3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C44H29F4N11O4S2/c45-27-7-2-8-28(46)32(27)35(60)37-39(49)58-43(64-37)57-31-14-10-24(20-53-31)42(63)55-25-6-1-5-22(16-25)26-11-12-29(47)33(34(26)48)36(61)38-40(50)59-44(65-38)56-30-13-9-23(19-52-30)41(62)54-18-21-4-3-15-51-17-21/h1-17,19-20H,18,49-50H2,(H,54,62)(H,55,63)(H,52,56,59)(H,53,57,58)
InChIKeySDGQTWSXTSCSFZ-UHFFFAOYSA-N
XLogP8.30
TPSA232.89 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500915.91
LogP ≤ 58.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 9981982
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 9982866
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 10005012
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 10027525
N-[5-(2-Cyclohexylamino-4-pyridyl)-4-(4-fluorophenyl)-1,3-thiazol-2-YL]nicotinamide
CID 10162436
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide
CID 10253273
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10254849
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyridine-3-carboxamide
CID 10344739
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide
CID 10456518
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1S)-2-(dimethylamino)-1-pyrrolidin-2-ylethyl]pyridine-3-carboxamide
CID 11168254
6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
CID 22019052
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
CID 22019066

Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 142859321) is 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Nc1nc(Nc2ccc(C(=O)Nc3cccc(-c4ccc(F)c(C(=O)c5sc(Nc6ccc(C(=O)NCc7cccnc7)cn6)nc5N)c4F)c3)cn2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SDGQTWSXTSCSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29F4N11O4S2/c45-27-7-2-8-28(46)32(27)35(60)37-39(49)58-43(64-37)57-31-14-10-24(20-53-31)42(63)55-25-6-1-5-22(16-25)26-11-12-29(47)33(34(26)48)36(61)38-40(50)59-44(65-38)56-30-13-9-23(19-52-30)41(62)54-18-21-4-3-15-51-17-21/h1-17,19-20H,18,49-50H2,(H,54,62)(H,55,63)(H,52,56,59)(H,53,57,58).
What are the key properties of 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 915.91 g/mol, XLogP of 8.30, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-[3-[3-[[6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]amino]phenyl]-2,6-difluorobenzoyl]-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142859321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).