6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine

C17H22N6O — CID 70919784

IUPAC6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCOC[C@@H]1C[C@@H](Nc2cncc(C3C=NN4C=CC=CC34)n2)CN1
InChIInChI=1S/C17H22N6O/c1-24-11-13-6-12(7-19-13)21-17-10-18-9-15(22-17)14-8-20-23-5-3-2-4-16(14)23/h2-5,8-10,12-14,16,19H,6-7,11H2,1H3,(H,21,22)/t12-,13+,14?,16?/m1/s1
InChIKeyRWMKLAPNDKZUAH-NNNQGMHWSA-N
MW326.40 g/mol
LogP1.10
Rot. Bonds5

About 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine

6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 70919784) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID70919784
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCOC[C@@H]1C[C@@H](Nc2cncc(C3C=NN4C=CC=CC34)n2)CN1
InChIInChI=1S/C17H22N6O/c1-24-11-13-6-12(7-19-13)21-17-10-18-9-15(22-17)14-8-20-23-5-3-2-4-16(14)23/h2-5,8-10,12-14,16,19H,6-7,11H2,1H3,(H,21,22)/t12-,13+,14?,16?/m1/s1
InChIKeyRWMKLAPNDKZUAH-NNNQGMHWSA-N
XLogP1.10
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine (CID 70919784) is 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine is COC[C@@H]1C[C@@H](Nc2cncc(C3C=NN4C=CC=CC34)n2)CN1.
What is the InChIKey of 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is RWMKLAPNDKZUAH-NNNQGMHWSA-N. The full InChI is InChI=1S/C17H22N6O/c1-24-11-13-6-12(7-19-13)21-17-10-18-9-15(22-17)14-8-20-23-5-3-2-4-16(14)23/h2-5,8-10,12-14,16,19H,6-7,11H2,1H3,(H,21,22)/t12-,13+,14?,16?/m1/s1.
What are the key properties of 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine?
6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a-dihydropyrazolo[1,5-a]pyridin-3-yl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 70919784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).