(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C24H23N7O2 — CID 175507744

IUPAC(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)ccc4n3)cnn2)n1
InChIInChI=1S/C24H23N7O2/c1-14-6-7-25-23(27-14)19-9-20(19)24(32)29-21-8-18(10-26-30-21)33-13-17-12-31-11-16(15-2-3-15)4-5-22(31)28-17/h4-8,10-12,15,19-20H,2-3,9,13H2,1H3,(H,29,30,32)/t19?,20-/m0/s1
InChIKeyLOISIZBHTXLWCA-ANYOKISRSA-N
MW441.50 g/mol
LogP3.42
Rot. Bonds7

About (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 175507744) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID175507744
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)ccc4n3)cnn2)n1
InChIInChI=1S/C24H23N7O2/c1-14-6-7-25-23(27-14)19-9-20(19)24(32)29-21-8-18(10-26-30-21)33-13-17-12-31-11-16(15-2-3-15)4-5-22(31)28-17/h4-8,10-12,15,19-20H,2-3,9,13H2,1H3,(H,29,30,32)/t19?,20-/m0/s1
InChIKeyLOISIZBHTXLWCA-ANYOKISRSA-N
XLogP3.42
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 175507744) is (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)ccc4n3)cnn2)n1.
What is the InChIKey of (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LOISIZBHTXLWCA-ANYOKISRSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14-6-7-25-23(27-14)19-9-20(19)24(32)29-21-8-18(10-26-30-21)33-13-17-12-31-11-16(15-2-3-15)4-5-22(31)28-17/h4-8,10-12,15,19-20H,2-3,9,13H2,1H3,(H,29,30,32)/t19?,20-/m0/s1.
What are the key properties of (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175507744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).