N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C22H23ClN6 — CID 177374398

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESClc1cccc(CN2CCC(Nc3c(-c4ccn[nH]4)cnc4[nH]ccc34)CC2)c1
InChIInChI=1S/C22H23ClN6/c23-16-3-1-2-15(12-16)14-29-10-6-17(7-11-29)27-21-18-4-8-24-22(18)25-13-19(21)20-5-9-26-28-20/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,26,28)(H2,24,25,27)
InChIKeyXYSYZLCAYWRFHN-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.68
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 177374398) has the molecular formula C22H23ClN6 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID177374398
Molecular FormulaC22H23ClN6
Molecular Weight406.92 g/mol
Exact Mass406.17
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESClc1cccc(CN2CCC(Nc3c(-c4ccn[nH]4)cnc4[nH]ccc34)CC2)c1
InChIInChI=1S/C22H23ClN6/c23-16-3-1-2-15(12-16)14-29-10-6-17(7-11-29)27-21-18-4-8-24-22(18)25-13-19(21)20-5-9-26-28-20/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,26,28)(H2,24,25,27)
InChIKeyXYSYZLCAYWRFHN-UHFFFAOYSA-N
XLogP4.68
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 177374398) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Clc1cccc(CN2CCC(Nc3c(-c4ccn[nH]4)cnc4[nH]ccc34)CC2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is XYSYZLCAYWRFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6/c23-16-3-1-2-15(12-16)14-29-10-6-17(7-11-29)27-21-18-4-8-24-22(18)25-13-19(21)20-5-9-26-28-20/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,26,28)(H2,24,25,27).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 406.92 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 177374398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).