N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H22FN5O — CID 56941003

IUPACN-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C21H22FN5O/c22-16-4-1-3-15(11-16)17-5-2-10-26(17)20-9-8-19-23-13-18(27(19)25-20)21(28)24-12-14-6-7-14/h1,3-4,8-9,11,13-14,17H,2,5-7,10,12H2,(H,24,28)/t17-/m1/s1
InChIKeyPENCFRJKPHQHTG-QGZVFWFLSA-N
MW379.44 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941003) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941003
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C21H22FN5O/c22-16-4-1-3-15(11-16)17-5-2-10-26(17)20-9-8-19-23-13-18(27(19)25-20)21(28)24-12-14-6-7-14/h1,3-4,8-9,11,13-14,17H,2,5-7,10,12H2,(H,24,28)/t17-/m1/s1
InChIKeyPENCFRJKPHQHTG-QGZVFWFLSA-N
XLogP3.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941003) is N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCC1CC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PENCFRJKPHQHTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-16-4-1-3-15(11-16)17-5-2-10-26(17)20-9-8-19-23-13-18(27(19)25-20)21(28)24-12-14-6-7-14/h1,3-4,8-9,11,13-14,17H,2,5-7,10,12H2,(H,24,28)/t17-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).