4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C23H28N8O — CID 59757870

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCNC2
InChIInChI=1S/C23H28N8O/c1-2-15(1)19-13-21(30-29-19)27-22-18-7-8-24-14-20(18)26-23(28-22)25-16-3-5-17(6-4-16)31-9-11-32-12-10-31/h3-6,13,15,24H,1-2,7-12,14H2,(H3,25,26,27,28,29,30)
InChIKeyPHXKSVVLKRNZNB-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.05
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 59757870) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID59757870
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCNC2
InChIInChI=1S/C23H28N8O/c1-2-15(1)19-13-21(30-29-19)27-22-18-7-8-24-14-20(18)26-23(28-22)25-16-3-5-17(6-4-16)31-9-11-32-12-10-31/h3-6,13,15,24H,1-2,7-12,14H2,(H3,25,26,27,28,29,30)
InChIKeyPHXKSVVLKRNZNB-UHFFFAOYSA-N
XLogP3.05
TPSA103.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 59757870) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is c1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCNC2.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is PHXKSVVLKRNZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-2-15(1)19-13-21(30-29-19)27-22-18-7-8-24-14-20(18)26-23(28-22)25-16-3-5-17(6-4-16)31-9-11-32-12-10-31/h3-6,13,15,24H,1-2,7-12,14H2,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 432.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).