N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine

C16H18ClN7 — CID 89157636

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(Cl)nn23)C1
InChIInChI=1S/C16H18ClN7/c17-15-4-3-12-8-20-16(24(12)22-15)21-13-9-19-6-5-14(13)23-7-1-2-11(18)10-23/h3-6,8-9,11H,1-2,7,10,18H2,(H,20,21)/t11-/m0/s1
InChIKeySNBKWZURQXFUQV-NSHDSACASA-N
MW343.82 g/mol
LogP2.45
Rot. Bonds3

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine (PubChem CID 89157636) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine
PubChem CID89157636
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(Cl)nn23)C1
InChIInChI=1S/C16H18ClN7/c17-15-4-3-12-8-20-16(24(12)22-15)21-13-9-19-6-5-14(13)23-7-1-2-11(18)10-23/h3-6,8-9,11H,1-2,7,10,18H2,(H,20,21)/t11-/m0/s1
InChIKeySNBKWZURQXFUQV-NSHDSACASA-N
XLogP2.45
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine (CID 89157636) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(Cl)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine?
The InChIKey is SNBKWZURQXFUQV-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN7/c17-15-4-3-12-8-20-16(24(12)22-15)21-13-9-19-6-5-14(13)23-7-1-2-11(18)10-23/h3-6,8-9,11H,1-2,7,10,18H2,(H,20,21)/t11-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine has a molecular weight of 343.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-chloroimidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 89157636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).