5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide

C28H33N7O5 — CID 126762542

IUPAC5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CCN(CC(C)O)CC5)c4)c3)c(OC)cc21
InChIInChI=1S/C28H33N7O5/c1-18(36)16-33-9-6-21(7-10-33)35-17-20(15-31-35)27(37)32-26-13-22(4-8-30-26)40-25-12-19-5-11-34(28(38)29-2)23(19)14-24(25)39-3/h4-5,8,11-15,17-18,21,36H,6-7,9-10,16H2,1-3H3,(H,29,38)(H,30,32,37)
InChIKeyLHVWVEZQMUSHBI-UHFFFAOYSA-N
MW547.62 g/mol
LogP3.49
Rot. Bonds8

About 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide

5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (PubChem CID 126762542) has the molecular formula C28H33N7O5 and a molecular weight of 547.62 g/mol. Its IUPAC name is 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
PubChem CID126762542
Molecular FormulaC28H33N7O5
Molecular Weight547.62 g/mol
Exact Mass547.25
IUPAC Name5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CCN(CC(C)O)CC5)c4)c3)c(OC)cc21
InChIInChI=1S/C28H33N7O5/c1-18(36)16-33-9-6-21(7-10-33)35-17-20(15-31-35)27(37)32-26-13-22(4-8-30-26)40-25-12-19-5-11-34(28(38)29-2)23(19)14-24(25)39-3/h4-5,8,11-15,17-18,21,36H,6-7,9-10,16H2,1-3H3,(H,29,38)(H,30,32,37)
InChIKeyLHVWVEZQMUSHBI-UHFFFAOYSA-N
XLogP3.49
TPSA135.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(3-methoxypropoxy)-N-methylindole-1-carboxamide
CID 118601717
6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 118601742
6-methoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 90343905
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 78323433
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
CID 90349017
3-fluoro-4-[4-[[4-[6-methoxy-1-(methylcarbamoyl)indol-5-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylic acid
CID 90342123
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide;propane
CID 145159187
5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349008
6-(2-ethoxyethoxy)-5-[[2-[[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90349032
4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
CID 141411892
4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
CID 126762251
6-ethyl-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367870

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (CID 126762542) is 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CCN(CC(C)O)CC5)c4)c3)c(OC)cc21.
What is the InChIKey of 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The InChIKey is LHVWVEZQMUSHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O5/c1-18(36)16-33-9-6-21(7-10-33)35-17-20(15-31-35)27(37)32-26-13-22(4-8-30-26)40-25-12-19-5-11-34(28(38)29-2)23(19)14-24(25)39-3/h4-5,8,11-15,17-18,21,36H,6-7,9-10,16H2,1-3H3,(H,29,38)(H,30,32,37).
What are the key properties of 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[1-[1-(2-hydroxypropyl)piperidin-4-yl]pyrazole-4-carbonyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is sourced from PubChem (CID 126762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).