1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C23H24N6O — CID 42635983

IUPAC1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C4CC4)c23)cn1
InChIInChI=1S/C23H24N6O/c1-29-11-15(9-26-29)14-6-7-16-18(8-14)27-21-17(22(24)30)10-25-23(19(16)21)28-20(12-2-3-12)13-4-5-13/h6-13,20,27H,2-5H2,1H3,(H2,24,30)(H,25,28)
InChIKeyMFBHTCKAEJJJMP-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.82
Rot. Bonds6

About 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635983) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635983
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C4CC4)c23)cn1
InChIInChI=1S/C23H24N6O/c1-29-11-15(9-26-29)14-6-7-16-18(8-14)27-21-17(22(24)30)10-25-23(19(16)21)28-20(12-2-3-12)13-4-5-13/h6-13,20,27H,2-5H2,1H3,(H2,24,30)(H,25,28)
InChIKeyMFBHTCKAEJJJMP-UHFFFAOYSA-N
XLogP3.82
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635983) is 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C4CC4)c23)cn1.
What is the InChIKey of 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is MFBHTCKAEJJJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29-11-15(9-26-29)14-6-7-16-18(8-14)27-21-17(22(24)30)10-25-23(19(16)21)28-20(12-2-3-12)13-4-5-13/h6-13,20,27H,2-5H2,1H3,(H2,24,30)(H,25,28).
What are the key properties of 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).