6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C27H34FN7O3S — CID 25016006

IUPAC6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESNCC1CCc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(C5CCSCC5)c4=O)CC3)cn2C1
InChIInChI=1S/C27H34FN7O3S/c28-17-11-21-24(30-13-17)34(20-7-9-39-10-8-20)27(38)35(26(21)37)19-4-2-18(3-5-19)31-25(36)22-15-33-14-16(12-29)1-6-23(33)32-22/h11,13,15-16,18-20H,1-10,12,14,29H2,(H,31,36)
InChIKeyNJZVRVJQEFTLMW-UHFFFAOYSA-N
MW555.68 g/mol
LogP2.40
Rot. Bonds5

About 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25016006) has the molecular formula C27H34FN7O3S and a molecular weight of 555.68 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25016006
Molecular FormulaC27H34FN7O3S
Molecular Weight555.68 g/mol
Exact Mass555.24
IUPAC Name6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESNCC1CCc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(C5CCSCC5)c4=O)CC3)cn2C1
InChIInChI=1S/C27H34FN7O3S/c28-17-11-21-24(30-13-17)34(20-7-9-39-10-8-20)27(38)35(26(21)37)19-4-2-18(3-5-19)31-25(36)22-15-33-14-16(12-29)1-6-23(33)32-22/h11,13,15-16,18-20H,1-10,12,14,29H2,(H,31,36)
InChIKeyNJZVRVJQEFTLMW-UHFFFAOYSA-N
XLogP2.40
TPSA129.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 25016006) is 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is NCC1CCc2nc(C(=O)NC3CCC(n4c(=O)c5cc(F)cnc5n(C5CCSCC5)c4=O)CC3)cn2C1.
What is the InChIKey of 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NJZVRVJQEFTLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O3S/c28-17-11-21-24(30-13-17)34(20-7-9-39-10-8-20)27(38)35(26(21)37)19-4-2-18(3-5-19)31-25(36)22-15-33-14-16(12-29)1-6-23(33)32-22/h11,13,15-16,18-20H,1-10,12,14,29H2,(H,31,36).
What are the key properties of 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25016006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).