N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C23H24N8O — CID 89444844

IUPACN-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C23H24N8O/c24-23-26-12-18(13-27-23)28-22(32)21-19-9-16(4-5-20(19)29-30-21)17-8-15(10-25-11-17)14-31-6-2-1-3-7-31/h4-5,8-13H,1-3,6-7,14H2,(H,28,32)(H,29,30)(H2,24,26,27)
InChIKeyLENRDGRRDOMHBO-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.24
Rot. Bonds5

About N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89444844) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89444844
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C23H24N8O/c24-23-26-12-18(13-27-23)28-22(32)21-19-9-16(4-5-20(19)29-30-21)17-8-15(10-25-11-17)14-31-6-2-1-3-7-31/h4-5,8-13H,1-3,6-7,14H2,(H,28,32)(H,29,30)(H2,24,26,27)
InChIKeyLENRDGRRDOMHBO-UHFFFAOYSA-N
XLogP3.24
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.24
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-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89444844) is N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.
What is the InChIKey of N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is LENRDGRRDOMHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-23-26-12-18(13-27-23)28-22(32)21-19-9-16(4-5-20(19)29-30-21)17-8-15(10-25-11-17)14-31-6-2-1-3-7-31/h4-5,8-13H,1-3,6-7,14H2,(H,28,32)(H,29,30)(H2,24,26,27).
What are the key properties of N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(2-aminopyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.24, 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-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).