2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one

C20H23N7O2 — CID 134611702

IUPAC2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCn1ncc2c1C=C[C@@H](Nc1nc(N3CCC(O)CC3)nc3cc[nH]c(=O)c13)C2
InChIInChI=1S/C20H23N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-4,7,11,13-14,28H,5-6,8-10H2,1H3,(H,21,29)(H,23,24,25)/t13-/m1/s1
InChIKeyITZNUIRPSLQMBV-CYBMUJFWSA-N
MW393.45 g/mol
LogP1.06
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 134611702) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID134611702
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCn1ncc2c1C=C[C@@H](Nc1nc(N3CCC(O)CC3)nc3cc[nH]c(=O)c13)C2
InChIInChI=1S/C20H23N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-4,7,11,13-14,28H,5-6,8-10H2,1H3,(H,21,29)(H,23,24,25)/t13-/m1/s1
InChIKeyITZNUIRPSLQMBV-CYBMUJFWSA-N
XLogP1.06
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 134611702) is 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one is Cn1ncc2c1C=C[C@@H](Nc1nc(N3CCC(O)CC3)nc3cc[nH]c(=O)c13)C2.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ITZNUIRPSLQMBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-4,7,11,13-14,28H,5-6,8-10H2,1H3,(H,21,29)(H,23,24,25)/t13-/m1/s1.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 393.45 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-4-[[(5S)-1-methyl-4,5-dihydroindazol-5-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 134611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).