N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H19N9 — CID 155678861

IUPACN-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1cc(N2CCCC2)c2nc(-c3[nH]ncc3Nc3ncnc4[nH]ccc34)[nH]c2c1
InChIInChI=1S/C20H19N9/c1-2-9-29(8-1)15-5-3-4-13-16(15)27-20(25-13)17-14(10-24-28-17)26-19-12-6-7-21-18(12)22-11-23-19/h3-7,10-11H,1-2,8-9H2,(H,24,28)(H,25,27)(H2,21,22,23,26)
InChIKeyXRFPJCJXGWWJDN-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.57
Rot. Bonds4

About N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155678861) has the molecular formula C20H19N9 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155678861
Molecular FormulaC20H19N9
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1cc(N2CCCC2)c2nc(-c3[nH]ncc3Nc3ncnc4[nH]ccc34)[nH]c2c1
InChIInChI=1S/C20H19N9/c1-2-9-29(8-1)15-5-3-4-13-16(15)27-20(25-13)17-14(10-24-28-17)26-19-12-6-7-21-18(12)22-11-23-19/h3-7,10-11H,1-2,8-9H2,(H,24,28)(H,25,27)(H2,21,22,23,26)
InChIKeyXRFPJCJXGWWJDN-UHFFFAOYSA-N
XLogP3.57
TPSA114.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 42627755
2-(1H-Pyrazol-5-yl)-1H-1,3-benzodiazole
CID 763936
4-(2-(1H-Imidazol-4-YL)ethylamino)-2-(phenylamino)pyrazolo(1,5-A)(1,3,5)triazine-8-carbonitrile
CID 24779678
1-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-3-Yl)-1h-Benzimidazol-2-Amine
CID 46892845
1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
CID 58395044
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 155678861) is N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1cc(N2CCCC2)c2nc(-c3[nH]ncc3Nc3ncnc4[nH]ccc34)[nH]c2c1.
What is the InChIKey of N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XRFPJCJXGWWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9/c1-2-9-29(8-1)15-5-3-4-13-16(15)27-20(25-13)17-14(10-24-28-17)26-19-12-6-7-21-18(12)22-11-23-19/h3-7,10-11H,1-2,8-9H2,(H,24,28)(H,25,27)(H2,21,22,23,26).
What are the key properties of N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 385.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155678861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).