2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

C18H22N8O — CID 90099861

IUPAC2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2nccc3c(NC4CCNC4)nc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C18H22N8O/c1-4-19-11-12(1)22-17-13-2-5-20-16(14-3-6-21-25-14)15(13)23-18(24-17)26-7-9-27-10-8-26/h2-3,5-6,12,19H,1,4,7-11H2,(H,21,25)(H,22,23,24)
InChIKeyUKPUNBVRSGOLQI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.03
Rot. Bonds4

About 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 90099861) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID90099861
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2nccc3c(NC4CCNC4)nc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C18H22N8O/c1-4-19-11-12(1)22-17-13-2-5-20-16(14-3-6-21-25-14)15(13)23-18(24-17)26-7-9-27-10-8-26/h2-3,5-6,12,19H,1,4,7-11H2,(H,21,25)(H,22,23,24)
InChIKeyUKPUNBVRSGOLQI-UHFFFAOYSA-N
XLogP1.03
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (CID 90099861) is 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is c1cc(-c2nccc3c(NC4CCNC4)nc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UKPUNBVRSGOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-4-19-11-12(1)22-17-13-2-5-20-16(14-3-6-21-25-14)15(13)23-18(24-17)26-7-9-27-10-8-26/h2-3,5-6,12,19H,1,4,7-11H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90099861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).