1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide

C36H45N9O5 — CID 145062729

IUPAC1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4c(ccn4CCC(C)c4cc(C(=O)N5CCC(NC(=O)C6COC6)C5)n[nH]4)c3)C2)n[nH]1
InChIInChI=1S/C36H45N9O5/c1-21(2)28-15-30(41-39-28)35(48)44-12-8-26(17-44)37-33(46)24-4-5-32-23(14-24)7-11-43(32)10-6-22(3)29-16-31(42-40-29)36(49)45-13-9-27(18-45)38-34(47)25-19-50-20-25/h4-5,7,11,14-16,21-22,25-27H,6,8-10,12-13,17-20H2,1-3H3,(H,37,46)(H,38,47)(H,39,41)(H,40,42)
InChIKeyIRQXYBMZQFGAQW-UHFFFAOYSA-N
MW683.81 g/mol
LogP3.03
Rot. Bonds11

About 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide

1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide (PubChem CID 145062729) has the molecular formula C36H45N9O5 and a molecular weight of 683.81 g/mol. Its IUPAC name is 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide
PubChem CID145062729
Molecular FormulaC36H45N9O5
Molecular Weight683.81 g/mol
Exact Mass683.35
IUPAC Name1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4c(ccn4CCC(C)c4cc(C(=O)N5CCC(NC(=O)C6COC6)C5)n[nH]4)c3)C2)n[nH]1
InChIInChI=1S/C36H45N9O5/c1-21(2)28-15-30(41-39-28)35(48)44-12-8-26(17-44)37-33(46)24-4-5-32-23(14-24)7-11-43(32)10-6-22(3)29-16-31(42-40-29)36(49)45-13-9-27(18-45)38-34(47)25-19-50-20-25/h4-5,7,11,14-16,21-22,25-27H,6,8-10,12-13,17-20H2,1-3H3,(H,37,46)(H,38,47)(H,39,41)(H,40,42)
InChIKeyIRQXYBMZQFGAQW-UHFFFAOYSA-N
XLogP3.03
TPSA170.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.81
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide with MolForge

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Related Compounds

N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-1-methylpyrrole-2-carboxamide
CID 10440529
US11066365, Example 230
CID 122590784
US10343992, Example 130
CID 122590920
US10022354, Example 121
CID 121279593
US10022354, Example 120
CID 121279597
US10022354, Example 178
CID 132070212
N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381231
(5-methyl-1H-indol-2-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53623565
3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-[2-[1-(3-methylbutyl)indol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 132285433
N-[4-[2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
CID 67535737
N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
CID 67535739
N-[4-[4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
CID 144061718

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide?
The IUPAC name of 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide (CID 145062729) is 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide.
What is the SMILES notation for 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide?
The canonical SMILES for 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4c(ccn4CCC(C)c4cc(C(=O)N5CCC(NC(=O)C6COC6)C5)n[nH]4)c3)C2)n[nH]1.
What is the InChIKey of 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide?
The InChIKey is IRQXYBMZQFGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N9O5/c1-21(2)28-15-30(41-39-28)35(48)44-12-8-26(17-44)37-33(46)24-4-5-32-23(14-24)7-11-43(32)10-6-22(3)29-16-31(42-40-29)36(49)45-13-9-27(18-45)38-34(47)25-19-50-20-25/h4-5,7,11,14-16,21-22,25-27H,6,8-10,12-13,17-20H2,1-3H3,(H,37,46)(H,38,47)(H,39,41)(H,40,42).
What are the key properties of 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide?
1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide has a molecular weight of 683.81 g/mol, XLogP of 3.03, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide is sourced from PubChem (CID 145062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).