7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine

C22H27N7 — CID 138686336

IUPAC7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(N3CCN(C)CC3)nc12
InChIInChI=1S/C22H27N7/c1-14(2)19-20(16-12-28(4)22-15(16)11-23-13-24-22)25-17-5-6-18(26-21(17)19)29-9-7-27(3)8-10-29/h5-6,11-14,25H,7-10H2,1-4H3
InChIKeyXNYZFYBFCZOWNV-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.39
Rot. Bonds3

About 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine

7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 138686336) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID138686336
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(N3CCN(C)CC3)nc12
InChIInChI=1S/C22H27N7/c1-14(2)19-20(16-12-28(4)22-15(16)11-23-13-24-22)25-17-5-6-18(26-21(17)19)29-9-7-27(3)8-10-29/h5-6,11-14,25H,7-10H2,1-4H3
InChIKeyXNYZFYBFCZOWNV-UHFFFAOYSA-N
XLogP3.39
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine (CID 138686336) is 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine is CC(C)c1c(-c2cn(C)c3ncncc23)[nH]c2ccc(N3CCN(C)CC3)nc12.
What is the InChIKey of 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is XNYZFYBFCZOWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-14(2)19-20(16-12-28(4)22-15(16)11-23-13-24-22)25-17-5-6-18(26-21(17)19)29-9-7-27(3)8-10-29/h5-6,11-14,25H,7-10H2,1-4H3.
What are the key properties of 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine?
7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 389.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138686336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).