N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C15H16FN7O — CID 155598626

IUPACN-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@@H]1F)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C15H16FN7O/c16-9-7-17-3-1-10(9)20-14(24)13-12-11(2-4-19-12)21-15(22-13)23-6-5-18-8-23/h2,4-6,8-10,17,19H,1,3,7H2,(H,20,24)/t9-,10+/m0/s1
InChIKeyLYVWCMJETSVMGT-VHSXEESVSA-N
MW329.34 g/mol
LogP0.57
Rot. Bonds3

About N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155598626) has the molecular formula C15H16FN7O and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155598626
Molecular FormulaC15H16FN7O
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC NameN-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@@H]1F)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C15H16FN7O/c16-9-7-17-3-1-10(9)20-14(24)13-12-11(2-4-19-12)21-15(22-13)23-6-5-18-8-23/h2,4-6,8-10,17,19H,1,3,7H2,(H,20,24)/t9-,10+/m0/s1
InChIKeyLYVWCMJETSVMGT-VHSXEESVSA-N
XLogP0.57
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155598626) is N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is O=C(N[C@@H]1CCNC[C@@H]1F)c1nc(-n2ccnc2)nc2cc[nH]c12.
What is the InChIKey of N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is LYVWCMJETSVMGT-VHSXEESVSA-N. The full InChI is InChI=1S/C15H16FN7O/c16-9-7-17-3-1-10(9)20-14(24)13-12-11(2-4-19-12)21-15(22-13)23-6-5-18-8-23/h2,4-6,8-10,17,19H,1,3,7H2,(H,20,24)/t9-,10+/m0/s1.
What are the key properties of N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).