N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide

C24H28N6O2 — CID 151421558

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCc3[nH]c4ccccc4c3C2)n1
InChIInChI=1S/C24H28N6O2/c31-23(25-14-16-5-6-16)21-13-22(29-9-11-32-12-10-29)28-24(27-21)30-8-7-20-18(15-30)17-3-1-2-4-19(17)26-20/h1-4,13,16,26H,5-12,14-15H2,(H,25,31)
InChIKeyPAQMDGPKGIGOSW-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.50
Rot. Bonds5

About N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide (PubChem CID 151421558) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
PubChem CID151421558
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCc3[nH]c4ccccc4c3C2)n1
InChIInChI=1S/C24H28N6O2/c31-23(25-14-16-5-6-16)21-13-22(29-9-11-32-12-10-29)28-24(27-21)30-8-7-20-18(15-30)17-3-1-2-4-19(17)26-20/h1-4,13,16,26H,5-12,14-15H2,(H,25,31)
InChIKeyPAQMDGPKGIGOSW-UHFFFAOYSA-N
XLogP2.50
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide (CID 151421558) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCc3[nH]c4ccccc4c3C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is PAQMDGPKGIGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-23(25-14-16-5-6-16)21-13-22(29-9-11-32-12-10-29)28-24(27-21)30-8-7-20-18(15-30)17-3-1-2-4-19(17)26-20/h1-4,13,16,26H,5-12,14-15H2,(H,25,31).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 151421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).