N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

C23H29FN8O2 — CID 75202039

IUPACN-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc(Nc3nc4ccnn4cc3F)cc2NC(C)C)CC1
InChIInChI=1S/C23H29FN8O2/c1-13(2)27-19-10-20(30-22-18(24)12-32-21(31-22)8-9-26-32)25-11-17(19)23(34)29-16-6-4-15(5-7-16)28-14(3)33/h8-13,15-16H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H2,25,27,30,31)
InChIKeyFUJYITQZJLPYRO-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.00
Rot. Bonds7

About N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 75202039) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID75202039
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC NameN-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc(Nc3nc4ccnn4cc3F)cc2NC(C)C)CC1
InChIInChI=1S/C23H29FN8O2/c1-13(2)27-19-10-20(30-22-18(24)12-32-21(31-22)8-9-26-32)25-11-17(19)23(34)29-16-6-4-15(5-7-16)28-14(3)33/h8-13,15-16H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H2,25,27,30,31)
InChIKeyFUJYITQZJLPYRO-UHFFFAOYSA-N
XLogP3.00
TPSA125.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 75202039) is N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(=O)NC1CCC(NC(=O)c2cnc(Nc3nc4ccnn4cc3F)cc2NC(C)C)CC1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is FUJYITQZJLPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-13(2)27-19-10-20(30-22-18(24)12-32-21(31-22)8-9-26-32)25-11-17(19)23(34)29-16-6-4-15(5-7-16)28-14(3)33/h8-13,15-16H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H2,25,27,30,31).
What are the key properties of N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 3.00, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75202039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).