Skip to content

CRJSAFQVQHWVTQ-HOCLYGCPSA-N

C25H25N5O4S — CID 121368717

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H25N5O4S/c1-29-7-5-20(27-29)17-10-18-22(11-21(17)33-2)34-12-19-23(25(32)26-14-3-4-16(31)9-14)28-30(24(18)19)15-6-8-35-13-15/h5-8,10-11,13-14,16,31H,3-4,9,12H2,1-2H3,(H,26,32)/t14-,16-/m0/s1
InChIKeyCRJSAFQVQHWVTQ-HOCLYGCPSA-N
MW491.57 g/mol
LogP3.55
Rot. Bonds5

About CRJSAFQVQHWVTQ-HOCLYGCPSA-N

CRJSAFQVQHWVTQ-HOCLYGCPSA-N (PubChem CID 121368717) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameCRJSAFQVQHWVTQ-HOCLYGCPSA-N
PubChem CID121368717
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H25N5O4S/c1-29-7-5-20(27-29)17-10-18-22(11-21(17)33-2)34-12-19-23(25(32)26-14-3-4-16(31)9-14)28-30(24(18)19)15-6-8-35-13-15/h5-8,10-11,13-14,16,31H,3-4,9,12H2,1-2H3,(H,26,32)/t14-,16-/m0/s1
InChIKeyCRJSAFQVQHWVTQ-HOCLYGCPSA-N
XLogP3.55
TPSA103.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze CRJSAFQVQHWVTQ-HOCLYGCPSA-N 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 CRJSAFQVQHWVTQ-HOCLYGCPSA-N?
The IUPAC name of CRJSAFQVQHWVTQ-HOCLYGCPSA-N (CID 121368717) is N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for CRJSAFQVQHWVTQ-HOCLYGCPSA-N?
The canonical SMILES for CRJSAFQVQHWVTQ-HOCLYGCPSA-N is COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2.
What is the InChIKey of CRJSAFQVQHWVTQ-HOCLYGCPSA-N?
The InChIKey is CRJSAFQVQHWVTQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-29-7-5-20(27-29)17-10-18-22(11-21(17)33-2)34-12-19-23(25(32)26-14-3-4-16(31)9-14)28-30(24(18)19)15-6-8-35-13-15/h5-8,10-11,13-14,16,31H,3-4,9,12H2,1-2H3,(H,26,32)/t14-,16-/m0/s1.
What are the key properties of CRJSAFQVQHWVTQ-HOCLYGCPSA-N?
CRJSAFQVQHWVTQ-HOCLYGCPSA-N has a molecular weight of 491.57 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CRJSAFQVQHWVTQ-HOCLYGCPSA-N is sourced from PubChem (CID 121368717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.