trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

C17H17N5O — CID 137350642

IUPACtrans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H17N5O/c23-15-3-1-2-13(15)20-17-12-6-9-19-10-14(12)21-16(22-17)11-4-7-18-8-5-11/h4-10,13,15,23H,1-3H2,(H,20,21,22)/t13-,15-/m0/s1
InChIKeyKLRVBQBFDCULDA-ZFWWWQNUSA-N
MW307.36 g/mol
LogP2.41
Rot. Bonds3

About trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 137350642) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
PubChem CID137350642
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Nametrans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H17N5O/c23-15-3-1-2-13(15)20-17-12-6-9-19-10-14(12)21-16(22-17)11-4-7-18-8-5-11/h4-10,13,15,23H,1-3H2,(H,20,21,22)/t13-,15-/m0/s1
InChIKeyKLRVBQBFDCULDA-ZFWWWQNUSA-N
XLogP2.41
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol (CID 137350642) is trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is KLRVBQBFDCULDA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H17N5O/c23-15-3-1-2-13(15)20-17-12-6-9-19-10-14(12)21-16(22-17)11-4-7-18-8-5-11/h4-10,13,15,23H,1-3H2,(H,20,21,22)/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 137350642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).