N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

C27H23N7 — CID 137114585

IUPACN,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C27H23N7/c1-34(2)16-17-11-19(15-29-13-17)22-8-9-24-26(31-22)27(33-32-24)25-12-21-20(6-3-7-23(21)30-25)18-5-4-10-28-14-18/h3-15,30H,16H2,1-2H3,(H,32,33)
InChIKeyOWDPPIYUJNRWCB-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.29
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137114585) has the molecular formula C27H23N7 and a molecular weight of 445.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID137114585
Molecular FormulaC27H23N7
Molecular Weight445.53 g/mol
Exact Mass445.20
IUPAC NameN,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C27H23N7/c1-34(2)16-17-11-19(15-29-13-17)22-8-9-24-26(31-22)27(33-32-24)25-12-21-20(6-3-7-23(21)30-25)18-5-4-10-28-14-18/h3-15,30H,16H2,1-2H3,(H,32,33)
InChIKeyOWDPPIYUJNRWCB-UHFFFAOYSA-N
XLogP5.29
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137114585) is N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is OWDPPIYUJNRWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7/c1-34(2)16-17-11-19(15-29-13-17)22-8-9-24-26(31-22)27(33-32-24)25-12-21-20(6-3-7-23(21)30-25)18-5-4-10-28-14-18/h3-15,30H,16H2,1-2H3,(H,32,33).
What are the key properties of N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 445.53 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137114585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).