7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

C16H19N7 — CID 167906033

IUPAC7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(NCc2ccnc(N3CCCC3)c2)n2nccc2n1
InChIInChI=1S/C16H19N7/c17-13-10-16(23-14(21-13)4-6-20-23)19-11-12-3-5-18-15(9-12)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11H2,(H2,17,21)
InChIKeyDARRDSPJDOJRLG-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.92
Rot. Bonds4

About 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 167906033) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID167906033
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(NCc2ccnc(N3CCCC3)c2)n2nccc2n1
InChIInChI=1S/C16H19N7/c17-13-10-16(23-14(21-13)4-6-20-23)19-11-12-3-5-18-15(9-12)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11H2,(H2,17,21)
InChIKeyDARRDSPJDOJRLG-UHFFFAOYSA-N
XLogP1.92
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

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Related Compounds

1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684
4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 18167056
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969451
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914658
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
3-nitro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133433331
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18167052
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 167906033) is 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is Nc1cc(NCc2ccnc(N3CCCC3)c2)n2nccc2n1.
What is the InChIKey of 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is DARRDSPJDOJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c17-13-10-16(23-14(21-13)4-6-20-23)19-11-12-3-5-18-15(9-12)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11H2,(H2,17,21).
What are the key properties of 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 309.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 167906033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).