1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine

C19H29N5O — CID 167789357

IUPAC1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCn1ncc2c(NCC3(CN4CCOCC4)CCCCC3)ccnc21
InChIInChI=1S/C19H29N5O/c1-23-18-16(13-22-23)17(5-8-20-18)21-14-19(6-3-2-4-7-19)15-24-9-11-25-12-10-24/h5,8,13H,2-4,6-7,9-12,14-15H2,1H3,(H,20,21)
InChIKeyPZDGVSJWALVHTA-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.66
Rot. Bonds5

About 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine

1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 167789357) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID167789357
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCn1ncc2c(NCC3(CN4CCOCC4)CCCCC3)ccnc21
InChIInChI=1S/C19H29N5O/c1-23-18-16(13-22-23)17(5-8-20-18)21-14-19(6-3-2-4-7-19)15-24-9-11-25-12-10-24/h5,8,13H,2-4,6-7,9-12,14-15H2,1H3,(H,20,21)
InChIKeyPZDGVSJWALVHTA-UHFFFAOYSA-N
XLogP2.66
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine (CID 167789357) is 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine is Cn1ncc2c(NCC3(CN4CCOCC4)CCCCC3)ccnc21.
What is the InChIKey of 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is PZDGVSJWALVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23-18-16(13-22-23)17(5-8-20-18)21-14-19(6-3-2-4-7-19)15-24-9-11-25-12-10-24/h5,8,13H,2-4,6-7,9-12,14-15H2,1H3,(H,20,21).
What are the key properties of 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine?
1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 343.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 167789357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).