(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

C21H24N8 — CID 72715289

IUPAC(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C21H24N8/c1-2-28-13-16(12-24-28)18-9-19-15(10-23-18)11-25-29(19)21-7-3-6-20(26-21)27-8-4-5-17(22)14-27/h3,6-7,9-13,17H,2,4-5,8,14,22H2,1H3/t17-/m0/s1
InChIKeyKSUJTDNWWVQOFC-KRWDZBQOSA-N
MW388.48 g/mol
LogP2.63
Rot. Bonds4

About (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 72715289) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID72715289
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C21H24N8/c1-2-28-13-16(12-24-28)18-9-19-15(10-23-18)11-25-29(19)21-7-3-6-20(26-21)27-8-4-5-17(22)14-27/h3,6-7,9-13,17H,2,4-5,8,14,22H2,1H3/t17-/m0/s1
InChIKeyKSUJTDNWWVQOFC-KRWDZBQOSA-N
XLogP2.63
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (CID 72715289) is (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)cn1.
What is the InChIKey of (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The InChIKey is KSUJTDNWWVQOFC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N8/c1-2-28-13-16(12-24-28)18-9-19-15(10-23-18)11-25-29(19)21-7-3-6-20(26-21)27-8-4-5-17(22)14-27/h3,6-7,9-13,17H,2,4-5,8,14,22H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 388.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 72715289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).