N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C26H29FN8O2S2 — CID 89069930

IUPACN-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCN(CN)CC4)c3F)s2)c1
InChIInChI=1S/C26H29FN8O2S2/c1-16-3-7-29-20(11-16)33-25-31-13-21(39-25)38-18-4-8-30-23(22(18)27)24(36)32-14-26(19-12-17(2)37-34-19)5-9-35(15-28)10-6-26/h3-4,7-8,11-13H,5-6,9-10,14-15,28H2,1-2H3,(H,32,36)(H,29,31,33)
InChIKeySLOYVEVBKXCMLF-UHFFFAOYSA-N
MW568.70 g/mol
LogP4.25
Rot. Bonds9

About N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 89069930) has the molecular formula C26H29FN8O2S2 and a molecular weight of 568.70 g/mol. Its IUPAC name is N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID89069930
Molecular FormulaC26H29FN8O2S2
Molecular Weight568.70 g/mol
Exact Mass568.18
IUPAC NameN-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCN(CN)CC4)c3F)s2)c1
InChIInChI=1S/C26H29FN8O2S2/c1-16-3-7-29-20(11-16)33-25-31-13-21(39-25)38-18-4-8-30-23(22(18)27)24(36)32-14-26(19-12-17(2)37-34-19)5-9-35(15-28)10-6-26/h3-4,7-8,11-13H,5-6,9-10,14-15,28H2,1-2H3,(H,32,36)(H,29,31,33)
InChIKeySLOYVEVBKXCMLF-UHFFFAOYSA-N
XLogP4.25
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 89069930) is N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCN(CN)CC4)c3F)s2)c1.
What is the InChIKey of N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is SLOYVEVBKXCMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O2S2/c1-16-3-7-29-20(11-16)33-25-31-13-21(39-25)38-18-4-8-30-23(22(18)27)24(36)32-14-26(19-12-17(2)37-34-19)5-9-35(15-28)10-6-26/h3-4,7-8,11-13H,5-6,9-10,14-15,28H2,1-2H3,(H,32,36)(H,29,31,33).
What are the key properties of N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 568.70 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)-4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 89069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).