4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide

C22H21N5O2 — CID 71061419

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc4c(c3)NC(=O)C4)ccc12)C1CC1
InChIInChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
InChIKeyLVUUUYFFEFTYLS-LLVKDONJSA-N
MW387.44 g/mol
LogP3.10
Rot. Bonds5

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide (PubChem CID 71061419) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide
PubChem CID71061419
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc4c(c3)NC(=O)C4)ccc12)C1CC1
InChIInChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1
InChIKeyLVUUUYFFEFTYLS-LLVKDONJSA-N
XLogP3.10
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide with MolForge

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
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CID 71061036
4-[[(1R)-1-cyclopropylethyl]amino]-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 71061505
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N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 71459130
N-[1-(2-benzamidoethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9910744
N-(1-benzylpiperidin-4-yl)-1-isopropylindazole-3-carboxamide
CID 10499786
n-(4-Piperidinylmethyl)-1-isopropyl-1h-3 indazolecarboxamide
CID 21252890
4-amino-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
CID 25132065
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443
4-amino-8-(2,6-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183555
4-amino-8-(3,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183558

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide (CID 71061419) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide is C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc4c(c3)NC(=O)C4)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide?
The InChIKey is LVUUUYFFEFTYLS-LLVKDONJSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 71061419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).