4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C21H25N7O — CID 146572010

IUPAC4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)c1[nH]ncc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CN)C2=O)n1
InChIInChI=1S/C21H25N7O/c1-12(2)20-14(10-23-26-20)16-6-5-7-18(24-16)28-11-15-13(21(28)29)8-19(27(3)4)25-17(15)9-22/h5-8,10,12H,9,11,22H2,1-4H3,(H,23,26)
InChIKeyYNABJTMKYFGBOL-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.68
Rot. Bonds5

About 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146572010) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146572010
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)c1[nH]ncc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CN)C2=O)n1
InChIInChI=1S/C21H25N7O/c1-12(2)20-14(10-23-26-20)16-6-5-7-18(24-16)28-11-15-13(21(28)29)8-19(27(3)4)25-17(15)9-22/h5-8,10,12H,9,11,22H2,1-4H3,(H,23,26)
InChIKeyYNABJTMKYFGBOL-UHFFFAOYSA-N
XLogP2.68
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146572010) is 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC(C)c1[nH]ncc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CN)C2=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YNABJTMKYFGBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-12(2)20-14(10-23-26-20)16-6-5-7-18(24-16)28-11-15-13(21(28)29)8-19(27(3)4)25-17(15)9-22/h5-8,10,12H,9,11,22H2,1-4H3,(H,23,26).
What are the key properties of 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(dimethylamino)-2-[6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146572010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).