N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine

C20H27N9 — CID 78054634

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(NCCc3cnc[nH]3)n2)cn1
InChIInChI=1S/C20H27N9/c1-29-11-13(8-25-29)17-7-15-18(10-23-17)27-28-20(15)16-3-2-4-19(26-16)22-6-5-14-9-21-12-24-14/h2-4,8-9,11-12,15,17-18,20,23,27-28H,5-7,10H2,1H3,(H,21,24)(H,22,26)
InChIKeyCABPBQCKOGHADM-UHFFFAOYSA-N
MW393.50 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine (PubChem CID 78054634) has the molecular formula C20H27N9 and a molecular weight of 393.50 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine
PubChem CID78054634
Molecular FormulaC20H27N9
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(NCCc3cnc[nH]3)n2)cn1
InChIInChI=1S/C20H27N9/c1-29-11-13(8-25-29)17-7-15-18(10-23-17)27-28-20(15)16-3-2-4-19(26-16)22-6-5-14-9-21-12-24-14/h2-4,8-9,11-12,15,17-18,20,23,27-28H,5-7,10H2,1H3,(H,21,24)(H,22,26)
InChIKeyCABPBQCKOGHADM-UHFFFAOYSA-N
XLogP1.06
TPSA107.51 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine (CID 78054634) is N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine is Cn1cc(C2CC3C(CN2)NNC3c2cccc(NCCc3cnc[nH]3)n2)cn1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine?
The InChIKey is CABPBQCKOGHADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9/c1-29-11-13(8-25-29)17-7-15-18(10-23-17)27-28-20(15)16-3-2-4-19(26-16)22-6-5-14-9-21-12-24-14/h2-4,8-9,11-12,15,17-18,20,23,27-28H,5-7,10H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine has a molecular weight of 393.50 g/mol, XLogP of 1.06, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 78054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).