N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide

C17H20N8O — CID 167907740

IUPACN-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
SMILESCc1nc(N2CCC(C)C(NC(=O)c3ccnnc3)C2)c2cn[nH]c2n1
InChIInChI=1S/C17H20N8O/c1-10-4-6-25(16-13-8-20-24-15(13)21-11(2)22-16)9-14(10)23-17(26)12-3-5-18-19-7-12/h3,5,7-8,10,14H,4,6,9H2,1-2H3,(H,23,26)(H,20,21,22,24)
InChIKeyVXLKCVBZNDRBEU-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.10
Rot. Bonds3

About N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide

N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide (PubChem CID 167907740) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
PubChem CID167907740
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
SMILESCc1nc(N2CCC(C)C(NC(=O)c3ccnnc3)C2)c2cn[nH]c2n1
InChIInChI=1S/C17H20N8O/c1-10-4-6-25(16-13-8-20-24-15(13)21-11(2)22-16)9-14(10)23-17(26)12-3-5-18-19-7-12/h3,5,7-8,10,14H,4,6,9H2,1-2H3,(H,23,26)(H,20,21,22,24)
InChIKeyVXLKCVBZNDRBEU-UHFFFAOYSA-N
XLogP1.10
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
CID 178106501
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563
4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
CID 166278947
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 67161981
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
CID 97364568

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide (CID 167907740) is N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide is Cc1nc(N2CCC(C)C(NC(=O)c3ccnnc3)C2)c2cn[nH]c2n1.
What is the InChIKey of N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide?
The InChIKey is VXLKCVBZNDRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-10-4-6-25(16-13-8-20-24-15(13)21-11(2)22-16)9-14(10)23-17(26)12-3-5-18-19-7-12/h3,5,7-8,10,14H,4,6,9H2,1-2H3,(H,23,26)(H,20,21,22,24).
What are the key properties of N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide?
N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 167907740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).