N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C28H36FN5O3 — CID 171486448

IUPACN-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(=O)NC2CC2)cc1F)C(C1CC1)C1CC1
InChIInChI=1S/C28H36FN5O3/c1-15(2)34-23(12-13-30-34)27(36)33-25(24(17-4-5-17)18-6-7-18)28(37)32-22-11-8-19(14-21(22)29)16(3)26(35)31-20-9-10-20/h8,11-18,20,24-25H,4-7,9-10H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t16-,25-/m0/s1
InChIKeyABYPERJJBIZBCH-LMKMVOKYSA-N
MW509.63 g/mol
LogP4.16
Rot. Bonds11

About N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 171486448) has the molecular formula C28H36FN5O3 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID171486448
Molecular FormulaC28H36FN5O3
Molecular Weight509.63 g/mol
Exact Mass509.28
IUPAC NameN-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(=O)NC2CC2)cc1F)C(C1CC1)C1CC1
InChIInChI=1S/C28H36FN5O3/c1-15(2)34-23(12-13-30-34)27(36)33-25(24(17-4-5-17)18-6-7-18)28(37)32-22-11-8-19(14-21(22)29)16(3)26(35)31-20-9-10-20/h8,11-18,20,24-25H,4-7,9-10H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t16-,25-/m0/s1
InChIKeyABYPERJJBIZBCH-LMKMVOKYSA-N
XLogP4.16
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-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-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 171486448) is N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)C(=O)NC2CC2)cc1F)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ABYPERJJBIZBCH-LMKMVOKYSA-N. The full InChI is InChI=1S/C28H36FN5O3/c1-15(2)34-23(12-13-30-34)27(36)33-25(24(17-4-5-17)18-6-7-18)28(37)32-22-11-8-19(14-21(22)29)16(3)26(35)31-20-9-10-20/h8,11-18,20,24-25H,4-7,9-10H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t16-,25-/m0/s1.
What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 4.16, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-dicyclopropyl-3-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoroanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 171486448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).