1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C23H29N11O2 — CID 90891709

IUPAC1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cnccn2)CCCN1c1nc(N2CCOCC2)nc(N(c2ccn[nH]2)C2CC2)n1
InChIInChI=1S/C23H29N11O2/c1-23(19(35)27-17-15-24-8-9-25-17)6-2-10-33(23)21-28-20(32-11-13-36-14-12-32)29-22(30-21)34(16-3-4-16)18-5-7-26-31-18/h5,7-9,15-16H,2-4,6,10-14H2,1H3,(H,26,31)(H,25,27,35)
InChIKeyNPSHYRMGTPBRDE-UHFFFAOYSA-N
MW491.56 g/mol
LogP1.52
Rot. Bonds7

About 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 90891709) has the molecular formula C23H29N11O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID90891709
Molecular FormulaC23H29N11O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC Name1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cnccn2)CCCN1c1nc(N2CCOCC2)nc(N(c2ccn[nH]2)C2CC2)n1
InChIInChI=1S/C23H29N11O2/c1-23(19(35)27-17-15-24-8-9-25-17)6-2-10-33(23)21-28-20(32-11-13-36-14-12-32)29-22(30-21)34(16-3-4-16)18-5-7-26-31-18/h5,7-9,15-16H,2-4,6,10-14H2,1H3,(H,26,31)(H,25,27,35)
InChIKeyNPSHYRMGTPBRDE-UHFFFAOYSA-N
XLogP1.52
TPSA141.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 90891709) is 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is CC1(C(=O)Nc2cnccn2)CCCN1c1nc(N2CCOCC2)nc(N(c2ccn[nH]2)C2CC2)n1.
What is the InChIKey of 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is NPSHYRMGTPBRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N11O2/c1-23(19(35)27-17-15-24-8-9-25-17)6-2-10-33(23)21-28-20(32-11-13-36-14-12-32)29-22(30-21)34(16-3-4-16)18-5-7-26-31-18/h5,7-9,15-16H,2-4,6,10-14H2,1H3,(H,26,31)(H,25,27,35).
What are the key properties of 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 90891709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).