2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C20H22N6OS — CID 162686933

IUPAC2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CC(CC2CC2)c2[nH]c(-c3ccnc(N)c3)c(Nc3cscn3)c2C1=O
InChIInChI=1S/C20H22N6OS/c1-26-8-13(6-11-2-3-11)17-16(20(26)27)19(24-15-9-28-10-23-15)18(25-17)12-4-5-22-14(21)7-12/h4-5,7,9-11,13,24-25H,2-3,6,8H2,1H3,(H2,21,22)
InChIKeyDTIORJVVVSTEER-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.83
Rot. Bonds5

About 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 162686933) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID162686933
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CC(CC2CC2)c2[nH]c(-c3ccnc(N)c3)c(Nc3cscn3)c2C1=O
InChIInChI=1S/C20H22N6OS/c1-26-8-13(6-11-2-3-11)17-16(20(26)27)19(24-15-9-28-10-23-15)18(25-17)12-4-5-22-14(21)7-12/h4-5,7,9-11,13,24-25H,2-3,6,8H2,1H3,(H2,21,22)
InChIKeyDTIORJVVVSTEER-UHFFFAOYSA-N
XLogP3.83
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 162686933) is 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CN1CC(CC2CC2)c2[nH]c(-c3ccnc(N)c3)c(Nc3cscn3)c2C1=O.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DTIORJVVVSTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-26-8-13(6-11-2-3-11)17-16(20(26)27)19(24-15-9-28-10-23-15)18(25-17)12-4-5-22-14(21)7-12/h4-5,7,9-11,13,24-25H,2-3,6,8H2,1H3,(H2,21,22).
What are the key properties of 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 394.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-7-(cyclopropylmethyl)-5-methyl-3-(1,3-thiazol-4-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 162686933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).