[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol

C23H29N7O2 — CID 59703431

IUPAC[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol
SMILESC[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C23H29N7O2/c1-15-14-32-11-10-29(15)22-18-6-7-19(16-5-8-20(24)25-12-16)26-21(18)27-23(28-22)30-9-3-2-4-17(30)13-31/h5-8,12,15,17,31H,2-4,9-11,13-14H2,1H3,(H2,24,25)/t15-,17?/m0/s1
InChIKeyRLTHZQAMSNQHIO-MYJWUSKBSA-N
MW435.53 g/mol
LogP2.25
Rot. Bonds4

About [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol

[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol (PubChem CID 59703431) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol
PubChem CID59703431
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol
SMILESC[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3ccc(N)nc3)ccc12
InChIInChI=1S/C23H29N7O2/c1-15-14-32-11-10-29(15)22-18-6-7-19(16-5-8-20(24)25-12-16)26-21(18)27-23(28-22)30-9-3-2-4-17(30)13-31/h5-8,12,15,17,31H,2-4,9-11,13-14H2,1H3,(H2,24,25)/t15-,17?/m0/s1
InChIKeyRLTHZQAMSNQHIO-MYJWUSKBSA-N
XLogP2.25
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol (CID 59703431) is [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol is C[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3ccc(N)nc3)ccc12.
What is the InChIKey of [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol?
The InChIKey is RLTHZQAMSNQHIO-MYJWUSKBSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-14-32-11-10-29(15)22-18-6-7-19(16-5-8-20(24)25-12-16)26-21(18)27-23(28-22)30-9-3-2-4-17(30)13-31/h5-8,12,15,17,31H,2-4,9-11,13-14H2,1H3,(H2,24,25)/t15-,17?/m0/s1.
What are the key properties of [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol?
[1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol has a molecular weight of 435.53 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 59703431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).