(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol

C25H33N7O2 — CID 139529410

IUPAC(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol
SMILESC[C@H](O)Cc1cc2cnc(Nc3ccc4c(n3)CCN(CCO)C4)nc2c(N2CCCCC2)n1
InChIInChI=1S/C25H33N7O2/c1-17(34)13-20-14-19-15-26-25(30-23(19)24(27-20)32-8-3-2-4-9-32)29-22-6-5-18-16-31(11-12-33)10-7-21(18)28-22/h5-6,14-15,17,33-34H,2-4,7-13,16H2,1H3,(H,26,28,29,30)/t17-/m0/s1
InChIKeyNMHHNUZVRPNOMR-KRWDZBQOSA-N
MW463.59 g/mol
LogP2.43
Rot. Bonds7

About (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol

(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 139529410) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol
PubChem CID139529410
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol
SMILESC[C@H](O)Cc1cc2cnc(Nc3ccc4c(n3)CCN(CCO)C4)nc2c(N2CCCCC2)n1
InChIInChI=1S/C25H33N7O2/c1-17(34)13-20-14-19-15-26-25(30-23(19)24(27-20)32-8-3-2-4-9-32)29-22-6-5-18-16-31(11-12-33)10-7-21(18)28-22/h5-6,14-15,17,33-34H,2-4,7-13,16H2,1H3,(H,26,28,29,30)/t17-/m0/s1
InChIKeyNMHHNUZVRPNOMR-KRWDZBQOSA-N
XLogP2.43
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol (CID 139529410) is (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol is C[C@H](O)Cc1cc2cnc(Nc3ccc4c(n3)CCN(CCO)C4)nc2c(N2CCCCC2)n1.
What is the InChIKey of (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is NMHHNUZVRPNOMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-17(34)13-20-14-19-15-26-25(30-23(19)24(27-20)32-8-3-2-4-9-32)29-22-6-5-18-16-31(11-12-33)10-7-21(18)28-22/h5-6,14-15,17,33-34H,2-4,7-13,16H2,1H3,(H,26,28,29,30)/t17-/m0/s1.
What are the key properties of (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol?
(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 463.59 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 139529410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).