4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide

C26H30ClN5O2 — CID 90290850

IUPAC4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C26H30ClN5O2/c27-19-7-5-18(6-8-19)26(11-12-26)15-31-25(34)22(28)16-1-3-17(4-2-16)24(33)32-21-10-14-30-23-20(21)9-13-29-23/h5-10,13-14,16-17,22H,1-4,11-12,15,28H2,(H,31,34)(H2,29,30,32,33)
InChIKeyHRZHBPHSELFLPN-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.14
Rot. Bonds7

About 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide

4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 90290850) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID90290850
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C26H30ClN5O2/c27-19-7-5-18(6-8-19)26(11-12-26)15-31-25(34)22(28)16-1-3-17(4-2-16)24(33)32-21-10-14-30-23-20(21)9-13-29-23/h5-10,13-14,16-17,22H,1-4,11-12,15,28H2,(H,31,34)(H2,29,30,32,33)
InChIKeyHRZHBPHSELFLPN-UHFFFAOYSA-N
XLogP4.14
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290829
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;tert-butyl N-[2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxo-1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate
CID 161354963
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290812
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
CID 18998617
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290831
4-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 57288382
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
4-[1-[carbamimidoyl(methyl)amino]ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 18998529
4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 91193641
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide (CID 90290850) is 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide is NC(C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1.
What is the InChIKey of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is HRZHBPHSELFLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c27-19-7-5-18(6-8-19)26(11-12-26)15-31-25(34)22(28)16-1-3-17(4-2-16)24(33)32-21-10-14-30-23-20(21)9-13-29-23/h5-10,13-14,16-17,22H,1-4,11-12,15,28H2,(H,31,34)(H2,29,30,32,33).
What are the key properties of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide?
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90290850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).