N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide

C24H29N5O3 — CID 91668729

IUPACN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)ccn1
InChIInChI=1S/C24H29N5O3/c1-16(2)31-23-12-20(8-10-25-23)29-11-9-22(15-29)32-21-6-4-18(5-7-21)17(3)28-24(30)19-13-26-27-14-19/h4-8,10,12-14,16-17,22H,9,11,15H2,1-3H3,(H,26,27)(H,28,30)/t17-,22?/m0/s1
InChIKeyHOENUZBBEYGLSP-LBOXEOMUSA-N
MW435.53 g/mol
LogP3.74
Rot. Bonds8

About N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide

N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 91668729) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID91668729
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)ccn1
InChIInChI=1S/C24H29N5O3/c1-16(2)31-23-12-20(8-10-25-23)29-11-9-22(15-29)32-21-6-4-18(5-7-21)17(3)28-24(30)19-13-26-27-14-19/h4-8,10,12-14,16-17,22H,9,11,15H2,1-3H3,(H,26,27)(H,28,30)/t17-,22?/m0/s1
InChIKeyHOENUZBBEYGLSP-LBOXEOMUSA-N
XLogP3.74
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-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

Related Compounds

N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
CID 130360895
N-[(1S)-1-[4-[1-(4-ethoxy-2-methylphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 118730173
5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544075
N-[(1S)-1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 71620938
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 73603545
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 73603546
N-[(1S)-1-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 89643588
N-[(1S)-1-[4-[(3R)-1-[2-(2-cyclopropylethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315280
N-[(1S)-1-[4-[(3R)-1-(2-cyclohexyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315332
N-[(1S)-1-[4-[(3R)-1-(2-cyclobutyloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315371
N-[(1S)-1-[4-[(3R)-1-[2-[(2-methylcyclopropyl)methoxy]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315446

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide (CID 91668729) is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide is CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)ccn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HOENUZBBEYGLSP-LBOXEOMUSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16(2)31-23-12-20(8-10-25-23)29-11-9-22(15-29)32-21-6-4-18(5-7-21)17(3)28-24(30)19-13-26-27-14-19/h4-8,10,12-14,16-17,22H,9,11,15H2,1-3H3,(H,26,27)(H,28,30)/t17-,22?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide?
N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91668729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).