N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C21H19N7O — CID 135344330

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1nc(N)c2cnc(NC(=O)C3CC3)cc2c1-c1cn[nH]c1
InChIInChI=1S/C21H19N7O/c1-11-4-5-23-9-15(11)19-18(13-7-25-26-8-13)14-6-17(27-21(29)12-2-3-12)24-10-16(14)20(22)28-19/h4-10,12H,2-3H2,1H3,(H2,22,28)(H,25,26)(H,24,27,29)
InChIKeyDIFHVAMEAQFOOF-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.32
Rot. Bonds4

About N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 135344330) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID135344330
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1nc(N)c2cnc(NC(=O)C3CC3)cc2c1-c1cn[nH]c1
InChIInChI=1S/C21H19N7O/c1-11-4-5-23-9-15(11)19-18(13-7-25-26-8-13)14-6-17(27-21(29)12-2-3-12)24-10-16(14)20(22)28-19/h4-10,12H,2-3H2,1H3,(H2,22,28)(H,25,26)(H,24,27,29)
InChIKeyDIFHVAMEAQFOOF-UHFFFAOYSA-N
XLogP3.32
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 135344330) is N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1nc(N)c2cnc(NC(=O)C3CC3)cc2c1-c1cn[nH]c1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is DIFHVAMEAQFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-11-4-5-23-9-15(11)19-18(13-7-25-26-8-13)14-6-17(27-21(29)12-2-3-12)24-10-16(14)20(22)28-19/h4-10,12H,2-3H2,1H3,(H2,22,28)(H,25,26)(H,24,27,29).
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135344330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).