5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide

C23H27N5O3 — CID 164637646

IUPAC5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(=O)n(C)n4)C3)c(C)n2C)cc1
InChIInChI=1S/C23H27N5O3/c1-15-19(13-20(26(15)2)16-5-7-18(31-4)8-6-16)23(30)24-17-11-12-28(14-17)21-9-10-22(29)27(3)25-21/h5-10,13,17H,11-12,14H2,1-4H3,(H,24,30)/t17-/m0/s1
InChIKeyAFPRCMDHWWHCGC-KRWDZBQOSA-N
MW421.50 g/mol
LogP2.11
Rot. Bonds5

About 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide

5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide (PubChem CID 164637646) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide
PubChem CID164637646
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(=O)n(C)n4)C3)c(C)n2C)cc1
InChIInChI=1S/C23H27N5O3/c1-15-19(13-20(26(15)2)16-5-7-18(31-4)8-6-16)23(30)24-17-11-12-28(14-17)21-9-10-22(29)27(3)25-21/h5-10,13,17H,11-12,14H2,1-4H3,(H,24,30)/t17-/m0/s1
InChIKeyAFPRCMDHWWHCGC-KRWDZBQOSA-N
XLogP2.11
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide (CID 164637646) is 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(=O)n(C)n4)C3)c(C)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide?
The InChIKey is AFPRCMDHWWHCGC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-19(13-20(26(15)2)16-5-7-18(31-4)8-6-16)23(30)24-17-11-12-28(14-17)21-9-10-22(29)27(3)25-21/h5-10,13,17H,11-12,14H2,1-4H3,(H,24,30)/t17-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide?
5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2-dimethyl-N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 164637646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).