1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide

C21H29N7O2 — CID 174025535

IUPAC1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
SMILES[H]/N=C/C=C(N)n1ncc2c(C3(C(N)=O)CCCCC3)cc(N3CCOC[C@H]3C)nc21
InChIInChI=1S/C21H29N7O2/c1-14-13-30-10-9-27(14)18-11-16(21(20(24)29)6-3-2-4-7-21)15-12-25-28(19(15)26-18)17(23)5-8-22/h5,8,11-12,14,22H,2-4,6-7,9-10,13,23H2,1H3,(H2,24,29)/b17-5?,22-8+/t14-/m1/s1
InChIKeyJEJOIJDRRNKLNB-GRUWZNHISA-N
MW411.51 g/mol
LogP1.75
Rot. Bonds5

About 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide

1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide (PubChem CID 174025535) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
PubChem CID174025535
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
SMILES[H]/N=C/C=C(N)n1ncc2c(C3(C(N)=O)CCCCC3)cc(N3CCOC[C@H]3C)nc21
InChIInChI=1S/C21H29N7O2/c1-14-13-30-10-9-27(14)18-11-16(21(20(24)29)6-3-2-4-7-21)15-12-25-28(19(15)26-18)17(23)5-8-22/h5,8,11-12,14,22H,2-4,6-7,9-10,13,23H2,1H3,(H2,24,29)/b17-5?,22-8+/t14-/m1/s1
InChIKeyJEJOIJDRRNKLNB-GRUWZNHISA-N
XLogP1.75
TPSA136.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[3-amino-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 178066142
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 145012198
1-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 156754163
(Z)-3-imino-1-[4-isoquinolin-4-yl-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446481
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
3-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-1-yl]prop-2-en-1-imine
CID 176598557
2-[8-[(Z)-1-amino-3-iminoprop-1-enyl]-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-4-yl]-3,3-dimethylbutan-2-ol
CID 126486717
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-piperidin-4-yl-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446678
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(thian-4-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 134446601
(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146556208
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
[1-[4-acetyl-2-(3-methylmorpholin-4-yl)-1,7-naphthyridin-8-yl]-3-iminoprop-1-enyl]-(oxan-2-yl)azanium
CID 148903429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide (CID 174025535) is 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide is [H]/N=C/C=C(N)n1ncc2c(C3(C(N)=O)CCCCC3)cc(N3CCOC[C@H]3C)nc21.
What is the InChIKey of 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is JEJOIJDRRNKLNB-GRUWZNHISA-N. The full InChI is InChI=1S/C21H29N7O2/c1-14-13-30-10-9-27(14)18-11-16(21(20(24)29)6-3-2-4-7-21)15-12-25-28(19(15)26-18)17(23)5-8-22/h5,8,11-12,14,22H,2-4,6-7,9-10,13,23H2,1H3,(H2,24,29)/b17-5?,22-8+/t14-/m1/s1.
What are the key properties of 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide?
1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 174025535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).