N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C20H26N8O — CID 123787935

IUPACN-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)N2CC3CC(CN(C)c4ncnc5[nH]ccc45)CC3C2)n[nH]1
InChIInChI=1S/C20H26N8O/c1-12-5-17(26-25-12)24-20(29)28-9-14-6-13(7-15(14)10-28)8-27(2)19-16-3-4-21-18(16)22-11-23-19/h3-5,11,13-15H,6-10H2,1-2H3,(H,21,22,23)(H2,24,25,26,29)
InChIKeyZBWIUGVNXCBTRP-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.62
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 123787935) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID123787935
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)N2CC3CC(CN(C)c4ncnc5[nH]ccc45)CC3C2)n[nH]1
InChIInChI=1S/C20H26N8O/c1-12-5-17(26-25-12)24-20(29)28-9-14-6-13(7-15(14)10-28)8-27(2)19-16-3-4-21-18(16)22-11-23-19/h3-5,11,13-15H,6-10H2,1-2H3,(H,21,22,23)(H2,24,25,26,29)
InChIKeyZBWIUGVNXCBTRP-UHFFFAOYSA-N
XLogP2.62
TPSA105.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 123787935) is N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cc1cc(NC(=O)N2CC3CC(CN(C)c4ncnc5[nH]ccc45)CC3C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ZBWIUGVNXCBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-12-5-17(26-25-12)24-20(29)28-9-14-6-13(7-15(14)10-28)8-27(2)19-16-3-4-21-18(16)22-11-23-19/h3-5,11,13-15H,6-10H2,1-2H3,(H,21,22,23)(H2,24,25,26,29).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 123787935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).