N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C23H22F2N8O — CID 89450526

IUPACN-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1
InChIInChI=1S/C23H22F2N8O/c24-23(25)3-5-33(6-4-23)13-14-7-16(10-27-9-14)15-1-2-19-18(8-15)20(32-31-19)21(34)30-17-11-28-22(26)29-12-17/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32)(H2,26,28,29)
InChIKeyBFKSNOBFIVDCMI-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.48
Rot. Bonds5

About N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450526) has the molecular formula C23H22F2N8O and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450526
Molecular FormulaC23H22F2N8O
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC NameN-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1
InChIInChI=1S/C23H22F2N8O/c24-23(25)3-5-33(6-4-23)13-14-7-16(10-27-9-14)15-1-2-19-18(8-15)20(32-31-19)21(34)30-17-11-28-22(26)29-12-17/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32)(H2,26,28,29)
InChIKeyBFKSNOBFIVDCMI-UHFFFAOYSA-N
XLogP3.48
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450526) is N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.
What is the InChIKey of N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BFKSNOBFIVDCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O/c24-23(25)3-5-33(6-4-23)13-14-7-16(10-27-9-14)15-1-2-19-18(8-15)20(32-31-19)21(34)30-17-11-28-22(26)29-12-17/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32)(H2,26,28,29).
What are the key properties of N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrimidin-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).