(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine

C26H36N4O — CID 156805919

IUPAC(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
SMILESCC1([C@@H]2C[C@H](NCC[C@@]3(c4ccccn4)CCOC4(CCCC4)C3)c3ccnn32)CC1
InChIInChI=1S/C26H36N4O/c1-24(10-11-24)23-18-20(21-7-15-29-30(21)23)27-16-12-25(22-6-2-5-14-28-22)13-17-31-26(19-25)8-3-4-9-26/h2,5-7,14-15,20,23,27H,3-4,8-13,16-19H2,1H3/t20-,23-,25+/m0/s1
InChIKeyDYNAKVNNFZIOHR-GRYUFTJMSA-N
MW420.60 g/mol
LogP5.11
Rot. Bonds6

About (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine

(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine (PubChem CID 156805919) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine.

Molecular Properties

Compound Name(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
PubChem CID156805919
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
SMILESCC1([C@@H]2C[C@H](NCC[C@@]3(c4ccccn4)CCOC4(CCCC4)C3)c3ccnn32)CC1
InChIInChI=1S/C26H36N4O/c1-24(10-11-24)23-18-20(21-7-15-29-30(21)23)27-16-12-25(22-6-2-5-14-28-22)13-17-31-26(19-25)8-3-4-9-26/h2,5-7,14-15,20,23,27H,3-4,8-13,16-19H2,1H3/t20-,23-,25+/m0/s1
InChIKeyDYNAKVNNFZIOHR-GRYUFTJMSA-N
XLogP5.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The IUPAC name of (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine (CID 156805919) is (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine.
What is the SMILES notation for (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The canonical SMILES for (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine is CC1([C@@H]2C[C@H](NCC[C@@]3(c4ccccn4)CCOC4(CCCC4)C3)c3ccnn32)CC1.
What is the InChIKey of (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The InChIKey is DYNAKVNNFZIOHR-GRYUFTJMSA-N. The full InChI is InChI=1S/C26H36N4O/c1-24(10-11-24)23-18-20(21-7-15-29-30(21)23)27-16-12-25(22-6-2-5-14-28-22)13-17-31-26(19-25)8-3-4-9-26/h2,5-7,14-15,20,23,27H,3-4,8-13,16-19H2,1H3/t20-,23-,25+/m0/s1.
What are the key properties of (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
(4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine has a molecular weight of 420.60 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(1-methylcyclopropyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine is sourced from PubChem (CID 156805919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).