(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine

C21H23N7 — CID 71254066

IUPAC(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
SMILESCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyUKAGZEMTXTYYHX-MRXNPFEDSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds3

About (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine

(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine (PubChem CID 71254066) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
PubChem CID71254066
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
SMILESCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyUKAGZEMTXTYYHX-MRXNPFEDSA-N
XLogP2.95
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine (CID 71254066) is (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine is Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)c4)n[nH]c3cn2)cn1.
What is the InChIKey of (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine?
The InChIKey is UKAGZEMTXTYYHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine?
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine is sourced from PubChem (CID 71254066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).