4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane

C18H25N5O — CID 46882190

IUPAC4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane
SMILESC[C@H]1CCCCN1c1nc(N2CCCOCC2)c2cccnc2n1
InChIInChI=1S/C18H25N5O/c1-14-6-2-3-10-23(14)18-20-16-15(7-4-8-19-16)17(21-18)22-9-5-12-24-13-11-22/h4,7-8,14H,2-3,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyQJWAJGDJASCIRF-AWEZNQCLSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds2

About 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane

4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane (PubChem CID 46882190) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane
PubChem CID46882190
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane
SMILESC[C@H]1CCCCN1c1nc(N2CCCOCC2)c2cccnc2n1
InChIInChI=1S/C18H25N5O/c1-14-6-2-3-10-23(14)18-20-16-15(7-4-8-19-16)17(21-18)22-9-5-12-24-13-11-22/h4,7-8,14H,2-3,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyQJWAJGDJASCIRF-AWEZNQCLSA-N
XLogP2.63
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane with MolForge

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Related Compounds

Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
4-Morpholin-4-yl-2-pyridin-4-yl-quinazoline
CID 710951
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381588
5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381604
7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381672
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
US10392376, Example 66
CID 137417723
(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501641
(8S)-N-methyl-N-[[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501802
4-(2-Pyridin-2-ylquinazolin-4-yl)morpholine
CID 661949

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane?
The IUPAC name of 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane (CID 46882190) is 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane?
The canonical SMILES for 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane is C[C@H]1CCCCN1c1nc(N2CCCOCC2)c2cccnc2n1.
What is the InChIKey of 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane?
The InChIKey is QJWAJGDJASCIRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-6-2-3-10-23(14)18-20-16-15(7-4-8-19-16)17(21-18)22-9-5-12-24-13-11-22/h4,7-8,14H,2-3,5-6,9-13H2,1H3/t14-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane?
4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane has a molecular weight of 327.43 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-1,4-oxazepane is sourced from PubChem (CID 46882190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).