7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C17H17N5 — CID 156836571

IUPAC7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1cnc(-c2ccc3cc(C#N)cnn23)cc1NC(C)C
InChIInChI=1S/C17H17N5/c1-11(2)21-15-7-16(19-9-12(15)3)17-5-4-14-6-13(8-18)10-20-22(14)17/h4-7,9-11H,1-3H3,(H,19,21)
InChIKeyAVRBCRMOWFSRSH-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.40
Rot. Bonds3

About 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 156836571) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID156836571
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1cnc(-c2ccc3cc(C#N)cnn23)cc1NC(C)C
InChIInChI=1S/C17H17N5/c1-11(2)21-15-7-16(19-9-12(15)3)17-5-4-14-6-13(8-18)10-20-22(14)17/h4-7,9-11H,1-3H3,(H,19,21)
InChIKeyAVRBCRMOWFSRSH-UHFFFAOYSA-N
XLogP3.40
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 156836571) is 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is Cc1cnc(-c2ccc3cc(C#N)cnn23)cc1NC(C)C.
What is the InChIKey of 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is AVRBCRMOWFSRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-11(2)21-15-7-16(19-9-12(15)3)17-5-4-14-6-13(8-18)10-20-22(14)17/h4-7,9-11H,1-3H3,(H,19,21).
What are the key properties of 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 156836571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).