[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone

C18H25N5O2 — CID 10043075

IUPAC[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)N3CCCC3)cnc21
InChIInChI=1S/C18H25N5O2/c1-2-23-17-14(12-20-23)16(21-13-5-9-25-10-6-13)15(11-19-17)18(24)22-7-3-4-8-22/h11-13H,2-10H2,1H3,(H,19,21)
InChIKeyNTBZUKLRRDKXKO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.28
Rot. Bonds4

About [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone

[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10043075) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID10043075
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)N3CCCC3)cnc21
InChIInChI=1S/C18H25N5O2/c1-2-23-17-14(12-20-23)16(21-13-5-9-25-10-6-13)15(11-19-17)18(24)22-7-3-4-8-22/h11-13H,2-10H2,1H3,(H,19,21)
InChIKeyNTBZUKLRRDKXKO-UHFFFAOYSA-N
XLogP2.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone (CID 10043075) is [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone is CCn1ncc2c(NC3CCOCC3)c(C(=O)N3CCCC3)cnc21.
What is the InChIKey of [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NTBZUKLRRDKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-23-17-14(12-20-23)16(21-13-5-9-25-10-6-13)15(11-19-17)18(24)22-7-3-4-8-22/h11-13H,2-10H2,1H3,(H,19,21).
What are the key properties of [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10043075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).