4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C19H23N7O3S — CID 175715255

IUPAC4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2c(C3CCCC3)nc(Nc3ccc(S(N)(=O)=O)cn3)nc2[nH]1
InChIInChI=1S/C19H23N7O3S/c1-26(2)18(27)14-9-13-16(11-5-3-4-6-11)24-19(25-17(13)22-14)23-15-8-7-12(10-21-15)30(20,28)29/h7-11H,3-6H2,1-2H3,(H2,20,28,29)(H2,21,22,23,24,25)
InChIKeyPSRGONBAWHFMFU-UHFFFAOYSA-N
MW429.51 g/mol
LogP2.10
Rot. Bonds5

About 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175715255) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID175715255
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2c(C3CCCC3)nc(Nc3ccc(S(N)(=O)=O)cn3)nc2[nH]1
InChIInChI=1S/C19H23N7O3S/c1-26(2)18(27)14-9-13-16(11-5-3-4-6-11)24-19(25-17(13)22-14)23-15-8-7-12(10-21-15)30(20,28)29/h7-11H,3-6H2,1-2H3,(H2,20,28,29)(H2,21,22,23,24,25)
InChIKeyPSRGONBAWHFMFU-UHFFFAOYSA-N
XLogP2.10
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 175715255) is 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2c(C3CCCC3)nc(Nc3ccc(S(N)(=O)=O)cn3)nc2[nH]1.
What is the InChIKey of 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PSRGONBAWHFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-26(2)18(27)14-9-13-16(11-5-3-4-6-11)24-19(25-17(13)22-14)23-15-8-7-12(10-21-15)30(20,28)29/h7-11H,3-6H2,1-2H3,(H2,20,28,29)(H2,21,22,23,24,25).
What are the key properties of 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N,N-dimethyl-2-[(5-sulfamoyl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175715255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).