N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine

C28H30F3N7 — CID 123615787

IUPACN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCC1CC(N)CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)CCCC5)cc4F)nn23)C1
InChIInChI=1S/C28H30F3N7/c1-17-10-19(32)16-37(15-17)25-6-9-33-14-24(25)35-27-34-13-20-4-5-23(36-38(20)27)26-21(29)11-18(12-22(26)30)28(31)7-2-3-8-28/h4-6,9,11-14,17,19H,2-3,7-8,10,15-16,32H2,1H3,(H,34,35)
InChIKeyBLUSZBYUUDBPFM-UHFFFAOYSA-N
MW521.59 g/mol
LogP5.73
Rot. Bonds5

About N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine

N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 123615787) has the molecular formula C28H30F3N7 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID123615787
Molecular FormulaC28H30F3N7
Molecular Weight521.59 g/mol
Exact Mass521.25
IUPAC NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCC1CC(N)CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)CCCC5)cc4F)nn23)C1
InChIInChI=1S/C28H30F3N7/c1-17-10-19(32)16-37(15-17)25-6-9-33-14-24(25)35-27-34-13-20-4-5-23(36-38(20)27)26-21(29)11-18(12-22(26)30)28(31)7-2-3-8-28/h4-6,9,11-14,17,19H,2-3,7-8,10,15-16,32H2,1H3,(H,34,35)
InChIKeyBLUSZBYUUDBPFM-UHFFFAOYSA-N
XLogP5.73
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.59
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine with MolForge

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Related Compounds

N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(propan-2-yloxymethyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123456295
2-[4-[7-[[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]-2-methylpropanenitrile
CID 123917212
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(oxan-4-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123339471
3-amino-1-[3-[[2-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 123503016
N-[3-amino-1-[3-[[2-[2,6-difluoro-4-(1-methoxycyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]-N-methylacetamide
CID 123257094
4-[7-[[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenol
CID 137043216
N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-methoxycyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123853446
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 123615944
N-[4-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine;bis(2,2,2-trifluoroacetic acid)
CID 89158608
2-(2,6-difluorophenyl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 71007296
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(oxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 90252013
3-[(3R,4S,5S)-3-amino-1-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]oxypropanenitrile
CID 90251954

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine (CID 123615787) is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine is CC1CC(N)CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)CCCC5)cc4F)nn23)C1.
What is the InChIKey of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is BLUSZBYUUDBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7/c1-17-10-19(32)16-37(15-17)25-6-9-33-14-24(25)35-27-34-13-20-4-5-23(36-38(20)27)26-21(29)11-18(12-22(26)30)28(31)7-2-3-8-28/h4-6,9,11-14,17,19H,2-3,7-8,10,15-16,32H2,1H3,(H,34,35).
What are the key properties of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 521.59 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 123615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).