3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

C21H22N6O2 — CID 138562746

IUPAC3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1)c1ccccc1
InChIInChI=1S/C21H22N6O2/c1-13(14-5-3-2-4-6-14)22-21(28)19-23-17-11-15-16(12-18(17)24-19)25-26-20(15)27-7-9-29-10-8-27/h2-6,11-13,25-26H,7-10H2,1H3,(H,22,28)/t13-/m1/s1
InChIKeyBTCIPRZWQVKMGO-CYBMUJFWSA-N
MW390.45 g/mol
LogP2.77
Rot. Bonds4

About 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 138562746) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID138562746
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1)c1ccccc1
InChIInChI=1S/C21H22N6O2/c1-13(14-5-3-2-4-6-14)22-21(28)19-23-17-11-15-16(12-18(17)24-19)25-26-20(15)27-7-9-29-10-8-27/h2-6,11-13,25-26H,7-10H2,1H3,(H,22,28)/t13-/m1/s1
InChIKeyBTCIPRZWQVKMGO-CYBMUJFWSA-N
XLogP2.77
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide with MolForge

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Related Compounds

methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate
CID 155032728
3-[4-(oxomethylidene)cyclohexen-1-yl]-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 176538799
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
N-[1-(3-bromophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616338
N-[1-(4-aminophenyl)ethyl]-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 154616337
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
CID 133149986
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 91406952
1-(2-morpholin-4-ylpyrimidin-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53146248
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 138562746) is 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is C[C@@H](NC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1)c1ccccc1.
What is the InChIKey of 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is BTCIPRZWQVKMGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13(14-5-3-2-4-6-14)22-21(28)19-23-17-11-15-16(12-18(17)24-19)25-26-20(15)27-7-9-29-10-8-27/h2-6,11-13,25-26H,7-10H2,1H3,(H,22,28)/t13-/m1/s1.
What are the key properties of 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 138562746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).