[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride

C20H22Cl2N6O2 — CID 71459478

IUPAC[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride
SMILESCC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2.Cl
InChIInChI=1S/C20H21ClN6O2.ClH/c1-12(2)29-19-14-9-27(20(28)16-10-26(3)11-23-16)7-6-15(14)24-18(25-19)13-4-5-17(21)22-8-13;/h4-5,8,10-12H,6-7,9H2,1-3H3;1H
InChIKeySKCRWZXHSCTFFP-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.33
Rot. Bonds4

About [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride

[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride (PubChem CID 71459478) has the molecular formula C20H22Cl2N6O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride
PubChem CID71459478
Molecular FormulaC20H22Cl2N6O2
Molecular Weight449.34 g/mol
Exact Mass448.12
IUPAC Name[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride
SMILESCC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2.Cl
InChIInChI=1S/C20H21ClN6O2.ClH/c1-12(2)29-19-14-9-27(20(28)16-10-26(3)11-23-16)7-6-15(14)24-18(25-19)13-4-5-17(21)22-8-13;/h4-5,8,10-12H,6-7,9H2,1-3H3;1H
InChIKeySKCRWZXHSCTFFP-UHFFFAOYSA-N
XLogP3.33
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride (CID 71459478) is [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride is CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2.Cl.
What is the InChIKey of [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride?
The InChIKey is SKCRWZXHSCTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2.ClH/c1-12(2)29-19-14-9-27(20(28)16-10-26(3)11-23-16)7-6-15(14)24-18(25-19)13-4-5-17(21)22-8-13;/h4-5,8,10-12H,6-7,9H2,1-3H3;1H.
What are the key properties of [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride?
[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride has a molecular weight of 449.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylimidazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 71459478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).