N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide

C21H23N7O — CID 135308466

IUPACN-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2n[nH]c3cnc(-c4cnn(C)c4C)cc23)cc1
InChIInChI=1S/C21H23N7O/c1-4-9-22-15-7-5-14(6-8-15)21(29)25-20-16-10-18(23-12-19(16)26-27-20)17-11-24-28(3)13(17)2/h5-8,10-12,22H,4,9H2,1-3H3,(H2,25,26,27,29)
InChIKeyKXQOBMLYNOCCEX-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.74
Rot. Bonds6

About N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide

N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide (PubChem CID 135308466) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide
PubChem CID135308466
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2n[nH]c3cnc(-c4cnn(C)c4C)cc23)cc1
InChIInChI=1S/C21H23N7O/c1-4-9-22-15-7-5-14(6-8-15)21(29)25-20-16-10-18(23-12-19(16)26-27-20)17-11-24-28(3)13(17)2/h5-8,10-12,22H,4,9H2,1-3H3,(H2,25,26,27,29)
InChIKeyKXQOBMLYNOCCEX-UHFFFAOYSA-N
XLogP3.74
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide (CID 135308466) is N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2n[nH]c3cnc(-c4cnn(C)c4C)cc23)cc1.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide?
The InChIKey is KXQOBMLYNOCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-4-9-22-15-7-5-14(6-8-15)21(29)25-20-16-10-18(23-12-19(16)26-27-20)17-11-24-28(3)13(17)2/h5-8,10-12,22H,4,9H2,1-3H3,(H2,25,26,27,29).
What are the key properties of N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide?
N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide is sourced from PubChem (CID 135308466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).