N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide

C27H29N5O3 — CID 68997604

IUPACN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C27H29N5O3/c1-31-12-4-7-26(31)27(33)28-23-11-9-21(35-18-15-32-13-16-34-17-14-32)19-20(23)8-10-25-22-5-2-3-6-24(22)29-30-25/h2-12,19H,13-18H2,1H3,(H,28,33)(H,29,30)/b10-8+
InChIKeyKBQKLSJJSBGEER-CSKARUKUSA-N
MW471.56 g/mol
LogP4.04
Rot. Bonds8

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 68997604) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID68997604
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C27H29N5O3/c1-31-12-4-7-26(31)27(33)28-23-11-9-21(35-18-15-32-13-16-34-17-14-32)19-20(23)8-10-25-22-5-2-3-6-24(22)29-30-25/h2-12,19H,13-18H2,1H3,(H,28,33)(H,29,30)/b10-8+
InChIKeyKBQKLSJJSBGEER-CSKARUKUSA-N
XLogP4.04
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
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CID 68998374
4-[2-(1H-indazol-3-yl)ethenyl]-3-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 69001401
N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 68997510
(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
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CID 68999984
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 69002452
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CID 136659087
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262604
2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 91522224
(2'S,3R)-2'-[3-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide (CID 68997604) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1/C=C/c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is KBQKLSJJSBGEER-CSKARUKUSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-31-12-4-7-26(31)27(33)28-23-11-9-21(35-18-15-32-13-16-34-17-14-32)19-20(23)8-10-25-22-5-2-3-6-24(22)29-30-25/h2-12,19H,13-18H2,1H3,(H,28,33)(H,29,30)/b10-8+.
What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide?
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 68997604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).