4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C26H30N6O2 — CID 97361473

IUPAC4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C26H30N6O2/c33-25(27-11-4-12-30-13-15-34-16-14-30)23-17-22-24(32(23)26-28-9-3-10-29-26)20-5-1-2-6-21(20)31(22)18-19-7-8-19/h1-3,5-6,9-10,17,19H,4,7-8,11-16,18H2,(H,27,33)
InChIKeyRBORNBSFFDXWHC-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.24
Rot. Bonds8

About 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361473) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361473
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C26H30N6O2/c33-25(27-11-4-12-30-13-15-34-16-14-30)23-17-22-24(32(23)26-28-9-3-10-29-26)20-5-1-2-6-21(20)31(22)18-19-7-8-19/h1-3,5-6,9-10,17,19H,4,7-8,11-16,18H2,(H,27,33)
InChIKeyRBORNBSFFDXWHC-UHFFFAOYSA-N
XLogP3.24
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
4-(cyclopropylmethyl)-1-pyrimidin-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857389
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361470
4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441846
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833248
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441870
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361473) is 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is RBORNBSFFDXWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-25(27-11-4-12-30-13-15-34-16-14-30)23-17-22-24(32(23)26-28-9-3-10-29-26)20-5-1-2-6-21(20)31(22)18-19-7-8-19/h1-3,5-6,9-10,17,19H,4,7-8,11-16,18H2,(H,27,33).
What are the key properties of 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).