5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine

C20H28N6O — CID 143937525

IUPAC5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1cn[nH]c1)c1cc(C2CCC(N3CCCOCC3)CC2)cnc1N
InChIInChI=1S/C20H28N6O/c21-19(16-12-24-25-13-16)18-10-15(11-23-20(18)22)14-2-4-17(5-3-14)26-6-1-8-27-9-7-26/h10-14,17,21H,1-9H2,(H2,22,23)(H,24,25)/b21-19+
InChIKeyRYRBQJORXVNWIL-XUTLUUPISA-N
MW368.49 g/mol
LogP2.55
Rot. Bonds4

About 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine

5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine (PubChem CID 143937525) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine
PubChem CID143937525
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1cn[nH]c1)c1cc(C2CCC(N3CCCOCC3)CC2)cnc1N
InChIInChI=1S/C20H28N6O/c21-19(16-12-24-25-13-16)18-10-15(11-23-20(18)22)14-2-4-17(5-3-14)26-6-1-8-27-9-7-26/h10-14,17,21H,1-9H2,(H2,22,23)(H,24,25)/b21-19+
InChIKeyRYRBQJORXVNWIL-XUTLUUPISA-N
XLogP2.55
TPSA103.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine with MolForge

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Related Compounds

(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
CID 145225076
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
3-(4-cyclopropylsulfonylbenzenecarboximidoyl)-5-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]pyridin-2-amine;molecular hydrogen
CID 166137808
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium
CID 144716953
4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 143731732
2-[4-[2-amino-5-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyridine-3-carboximidoyl]-2-chlorophenyl]propan-2-ol
CID 166137594
5-[3-cyclopentylimino-3-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propanimidoyl]-3-(difluoromethoxy)pyridin-2-amine
CID 123502491
(4-methylpiperazin-1-yl)-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
CID 24993424
3-[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]propane-1,2-diamine
CID 174936506

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine?
The IUPAC name of 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine (CID 143937525) is 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine?
The canonical SMILES for 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine is [H]/N=C(\c1cn[nH]c1)c1cc(C2CCC(N3CCCOCC3)CC2)cnc1N.
What is the InChIKey of 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine?
The InChIKey is RYRBQJORXVNWIL-XUTLUUPISA-N. The full InChI is InChI=1S/C20H28N6O/c21-19(16-12-24-25-13-16)18-10-15(11-23-20(18)22)14-2-4-17(5-3-14)26-6-1-8-27-9-7-26/h10-14,17,21H,1-9H2,(H2,22,23)(H,24,25)/b21-19+.
What are the key properties of 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine?
5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine has a molecular weight of 368.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,4-oxazepan-4-yl)cyclohexyl]-3-(1H-pyrazole-4-carboximidoyl)pyridin-2-amine is sourced from PubChem (CID 143937525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).