[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid

C23H38FN7O3 — CID 66936452

IUPAC[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid
SMILESCCc1nc(NNC(=O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2C[C@H](C)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C23H38FN7O3/c1-5-18-26-20(19(24)21(27-18)31-12-14(2)17(13-31)30(3)4)28-29-22(32)16(11-25-23(33)34)10-15-8-6-7-9-15/h14-17,25H,5-13H2,1-4H3,(H,29,32)(H,33,34)(H,26,27,28)/t14-,16+,17-/m0/s1
InChIKeyYCWXSFPAAMHTOP-UAGQMJEPSA-N
MW479.60 g/mol
LogP2.47
Rot. Bonds10

About [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid

[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid (PubChem CID 66936452) has the molecular formula C23H38FN7O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid
PubChem CID66936452
Molecular FormulaC23H38FN7O3
Molecular Weight479.60 g/mol
Exact Mass479.30
IUPAC Name[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid
SMILESCCc1nc(NNC(=O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2C[C@H](C)[C@@H](N(C)C)C2)n1
InChIInChI=1S/C23H38FN7O3/c1-5-18-26-20(19(24)21(27-18)31-12-14(2)17(13-31)30(3)4)28-29-22(32)16(11-25-23(33)34)10-15-8-6-7-9-15/h14-17,25H,5-13H2,1-4H3,(H,29,32)(H,33,34)(H,26,27,28)/t14-,16+,17-/m0/s1
InChIKeyYCWXSFPAAMHTOP-UAGQMJEPSA-N
XLogP2.47
TPSA122.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid 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 [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?
The IUPAC name of [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid (CID 66936452) is [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?
The canonical SMILES for [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid is CCc1nc(NNC(=O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2C[C@H](C)[C@@H](N(C)C)C2)n1.
What is the InChIKey of [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?
The InChIKey is YCWXSFPAAMHTOP-UAGQMJEPSA-N. The full InChI is InChI=1S/C23H38FN7O3/c1-5-18-26-20(19(24)21(27-18)31-12-14(2)17(13-31)30(3)4)28-29-22(32)16(11-25-23(33)34)10-15-8-6-7-9-15/h14-17,25H,5-13H2,1-4H3,(H,29,32)(H,33,34)(H,26,27,28)/t14-,16+,17-/m0/s1.
What are the key properties of [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?
[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid has a molecular weight of 479.60 g/mol, XLogP of 2.47, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 66936452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).