2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide

C23H29N5O — CID 133477494

IUPAC2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C23H29N5O/c1-14(19-13-28(23(3,4)5)27-15(19)2)24-21-12-18(22(29)25-16-10-11-16)17-8-6-7-9-20(17)26-21/h6-9,12-14,16H,10-11H2,1-5H3,(H,24,26)(H,25,29)
InChIKeySHOWARXRLJPNCB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.56
Rot. Bonds5

About 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide

2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide (PubChem CID 133477494) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
PubChem CID133477494
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C23H29N5O/c1-14(19-13-28(23(3,4)5)27-15(19)2)24-21-12-18(22(29)25-16-10-11-16)17-8-6-7-9-20(17)26-21/h6-9,12-14,16H,10-11H2,1-5H3,(H,24,26)(H,25,29)
InChIKeySHOWARXRLJPNCB-UHFFFAOYSA-N
XLogP4.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide (CID 133477494) is 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide is Cc1nn(C(C)(C)C)cc1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is SHOWARXRLJPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-14(19-13-28(23(3,4)5)27-15(19)2)24-21-12-18(22(29)25-16-10-11-16)17-8-6-7-9-20(17)26-21/h6-9,12-14,16H,10-11H2,1-5H3,(H,24,26)(H,25,29).
What are the key properties of 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide?
2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 133477494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).