4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide

C29H31FN6O2 — CID 137395805

IUPAC4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(NCC4CCCCC4)cc(Oc4cncc(F)c4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C29H31FN6O2/c1-18-11-20(7-10-24(18)29(37)34-22-8-9-22)25-17-33-36-26(32-14-19-5-3-2-4-6-19)13-27(35-28(25)36)38-23-12-21(30)15-31-16-23/h7,10-13,15-17,19,22,32H,2-6,8-9,14H2,1H3,(H,34,37)
InChIKeyFGKNRFSWZVBNNY-UHFFFAOYSA-N
MW514.61 g/mol
LogP5.92
Rot. Bonds8

About 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 137395805) has the molecular formula C29H31FN6O2 and a molecular weight of 514.61 g/mol. Its IUPAC name is 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID137395805
Molecular FormulaC29H31FN6O2
Molecular Weight514.61 g/mol
Exact Mass514.25
IUPAC Name4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(NCC4CCCCC4)cc(Oc4cncc(F)c4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C29H31FN6O2/c1-18-11-20(7-10-24(18)29(37)34-22-8-9-22)25-17-33-36-26(32-14-19-5-3-2-4-6-19)13-27(35-28(25)36)38-23-12-21(30)15-31-16-23/h7,10-13,15-17,19,22,32H,2-6,8-9,14H2,1H3,(H,34,37)
InChIKeyFGKNRFSWZVBNNY-UHFFFAOYSA-N
XLogP5.92
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.61
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 78320750
CID 78320750
CID 118086034
CID 118086034
CID 25101223
CID 25101223
CID 90176196
CID 90176196
CID 71737355
CID 71737355
CID 75202872
CID 75202872
CID 90176119
CID 90176119
CID 118452766
CID 118452766
CID 134328409
CID 134328409
CID 44579762
CID 44579762
CID 156015586
CID 156015586
CID 156018633
CID 156018633

Frequently Asked Questions

What is the IUPAC name of 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 137395805) is 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide is Cc1cc(-c2cnn3c(NCC4CCCCC4)cc(Oc4cncc(F)c4)nc23)ccc1C(=O)NC1CC1.
What is the InChIKey of 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is FGKNRFSWZVBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O2/c1-18-11-20(7-10-24(18)29(37)34-22-8-9-22)25-17-33-36-26(32-14-19-5-3-2-4-6-19)13-27(35-28(25)36)38-23-12-21(30)15-31-16-23/h7,10-13,15-17,19,22,32H,2-6,8-9,14H2,1H3,(H,34,37).
What are the key properties of 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 514.61 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 137395805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).