N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine

C24H24N8 — CID 167367037

IUPACN,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnn(CCN(C)C)c4)cc3n2)n1
InChIInChI=1S/C24H24N8/c1-16-5-4-6-22(28-16)24-19(14-26-30-24)20-7-8-21-23(29-20)11-17(12-25-21)18-13-27-32(15-18)10-9-31(2)3/h4-8,11-15H,9-10H2,1-3H3,(H,26,30)
InChIKeyJKEFEFJFHBUHLQ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.82
Rot. Bonds6

About N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine

N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine (PubChem CID 167367037) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine
PubChem CID167367037
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC NameN,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnn(CCN(C)C)c4)cc3n2)n1
InChIInChI=1S/C24H24N8/c1-16-5-4-6-22(28-16)24-19(14-26-30-24)20-7-8-21-23(29-20)11-17(12-25-21)18-13-27-32(15-18)10-9-31(2)3/h4-8,11-15H,9-10H2,1-3H3,(H,26,30)
InChIKeyJKEFEFJFHBUHLQ-UHFFFAOYSA-N
XLogP3.82
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 447966
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CID 449054
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CID 9858084
CID 9858084
CID 9946092
CID 9946092
CID 11717091
CID 11717091
CID 71254055
CID 71254055
CID 25156751
CID 25156751
CID 54671061
CID 54671061
CID 71253383
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CID 71253391

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine (CID 167367037) is N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(-c4cnn(CCN(C)C)c4)cc3n2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine?
The InChIKey is JKEFEFJFHBUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-16-5-4-6-22(28-16)24-19(14-26-30-24)20-7-8-21-23(29-20)11-17(12-25-21)18-13-27-32(15-18)10-9-31(2)3/h4-8,11-15H,9-10H2,1-3H3,(H,26,30).
What are the key properties of N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine?
N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine has a molecular weight of 424.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 167367037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).