4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C19H24N6O — CID 130183740

IUPAC4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1cc2c(N[C@H](C)CC3CC3)c(C(N)=O)cnn2c1
InChIInChI=1S/C19H24N6O/c1-10(6-13-4-5-13)22-18-15(19(20)26)8-21-25-9-14(7-16(18)25)17-11(2)23-24-12(17)3/h7-10,13,22H,4-6H2,1-3H3,(H2,20,26)(H,23,24)/t10-/m1/s1
InChIKeyLIRBUEVBEUNPNZ-SNVBAGLBSA-N
MW352.44 g/mol
LogP3.04
Rot. Bonds6

About 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 130183740) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID130183740
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1cc2c(N[C@H](C)CC3CC3)c(C(N)=O)cnn2c1
InChIInChI=1S/C19H24N6O/c1-10(6-13-4-5-13)22-18-15(19(20)26)8-21-25-9-14(7-16(18)25)17-11(2)23-24-12(17)3/h7-10,13,22H,4-6H2,1-3H3,(H2,20,26)(H,23,24)/t10-/m1/s1
InChIKeyLIRBUEVBEUNPNZ-SNVBAGLBSA-N
XLogP3.04
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 130183740) is 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1n[nH]c(C)c1-c1cc2c(N[C@H](C)CC3CC3)c(C(N)=O)cnn2c1.
What is the InChIKey of 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LIRBUEVBEUNPNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H24N6O/c1-10(6-13-4-5-13)22-18-15(19(20)26)8-21-25-9-14(7-16(18)25)17-11(2)23-24-12(17)3/h7-10,13,22H,4-6H2,1-3H3,(H2,20,26)(H,23,24)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-cyclopropylpropan-2-yl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 130183740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).