1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea

C24H30N10O2 — CID 162489249

IUPAC1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)NC4CCN(C)CC4)nccc23)n1
InChIInChI=1S/C24H30N10O2/c1-14-11-27-23(29-18-13-34(3)32-22(18)36-4)30-19(14)17-12-26-20-16(17)5-8-25-21(20)31-24(35)28-15-6-9-33(2)10-7-15/h5,8,11-13,15,26H,6-7,9-10H2,1-4H3,(H,27,29,30)(H2,25,28,31,35)
InChIKeyXCAZLSSBNLYTFA-UHFFFAOYSA-N
MW490.57 g/mol
LogP3.03
Rot. Bonds6

About 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea

1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 162489249) has the molecular formula C24H30N10O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID162489249
Molecular FormulaC24H30N10O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCOc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)NC4CCN(C)CC4)nccc23)n1
InChIInChI=1S/C24H30N10O2/c1-14-11-27-23(29-18-13-34(3)32-22(18)36-4)30-19(14)17-12-26-20-16(17)5-8-25-21(20)31-24(35)28-15-6-9-33(2)10-7-15/h5,8,11-13,15,26H,6-7,9-10H2,1-4H3,(H,27,29,30)(H2,25,28,31,35)
InChIKeyXCAZLSSBNLYTFA-UHFFFAOYSA-N
XLogP3.03
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea (CID 162489249) is 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea is COc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)NC4CCN(C)CC4)nccc23)n1.
What is the InChIKey of 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is XCAZLSSBNLYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N10O2/c1-14-11-27-23(29-18-13-34(3)32-22(18)36-4)30-19(14)17-12-26-20-16(17)5-8-25-21(20)31-24(35)28-15-6-9-33(2)10-7-15/h5,8,11-13,15,26H,6-7,9-10H2,1-4H3,(H,27,29,30)(H2,25,28,31,35).
What are the key properties of 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea?
1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 490.57 g/mol, XLogP of 3.03, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 162489249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).