3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

C17H18N6O — CID 134551994

IUPAC3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C17H18N6O/c1-11-4-6-18-9-14(11)22-17(24)13-5-7-21-23-15(10-20-16(13)23)19-8-12-2-3-12/h4-7,9-10,12,19H,2-3,8H2,1H3,(H,22,24)
InChIKeyPAIFVBSOFXHAPE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.51
Rot. Bonds5

About 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide

3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551994) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551994
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C17H18N6O/c1-11-4-6-18-9-14(11)22-17(24)13-5-7-21-23-15(10-20-16(13)23)19-8-12-2-3-12/h4-7,9-10,12,19H,2-3,8H2,1H3,(H,22,24)
InChIKeyPAIFVBSOFXHAPE-UHFFFAOYSA-N
XLogP2.51
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 134551592
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
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CID 5459373
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CID 49865038
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378066
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776659

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551994) is 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is Cc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12.
What is the InChIKey of 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is PAIFVBSOFXHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-4-6-18-9-14(11)22-17(24)13-5-7-21-23-15(10-20-16(13)23)19-8-12-2-3-12/h4-7,9-10,12,19H,2-3,8H2,1H3,(H,22,24).
What are the key properties of 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide?
3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-N-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).