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

C25H31N5O3 — CID 91668725

IUPAC1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cnn(C)c4)cc3)C2)ccn1
InChIInChI=1S/C25H31N5O3/c1-17(2)32-24-13-21(9-11-26-24)30-12-10-23(16-30)33-22-7-5-19(6-8-22)18(3)28-25(31)20-14-27-29(4)15-20/h5-9,11,13-15,17-18,23H,10,12,16H2,1-4H3,(H,28,31)/t18-,23?/m0/s1
InChIKeyRPGYWGAPILTLSC-XNUZUHMRSA-N
MW449.56 g/mol
LogP3.75
Rot. Bonds8

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

1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 91668725) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
PubChem CID91668725
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cnn(C)c4)cc3)C2)ccn1
InChIInChI=1S/C25H31N5O3/c1-17(2)32-24-13-21(9-11-26-24)30-12-10-23(16-30)33-22-7-5-19(6-8-22)18(3)28-25(31)20-14-27-29(4)15-20/h5-9,11,13-15,17-18,23H,10,12,16H2,1-4H3,(H,28,31)/t18-,23?/m0/s1
InChIKeyRPGYWGAPILTLSC-XNUZUHMRSA-N
XLogP3.75
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]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-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 56835923
1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442208
(6R)-9-fluoro-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 86691719
US11098060, Example 1
CID 137548234
US11098060, Example 15
CID 137548747
US11098060, Example 19
CID 137548748
US11098060, Example 14
CID 137548753
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 24250013
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-3-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide (CID 91668725) is 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide is CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cnn(C)c4)cc3)C2)ccn1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is RPGYWGAPILTLSC-XNUZUHMRSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-17(2)32-24-13-21(9-11-26-24)30-12-10-23(16-30)33-22-7-5-19(6-8-22)18(3)28-25(31)20-14-27-29(4)15-20/h5-9,11,13-15,17-18,23H,10,12,16H2,1-4H3,(H,28,31)/t18-,23?/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide?
1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91668725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).